SCHEMBL6744448

SCHEMBL6744448

[O]c1cncc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.59
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
POLB P06746 1/20 0.59
LMNA P02545 1/20 0.59
DDO Q99489 1/20 0.59
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
APP P05067 1/20 0.45
GAA P10253 1/20 0.45
HCAR3 P49019 1/20 0.45
RAF1 P04049 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL51830 0.85 HCAR2 (0.70) HCAR2ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7124062 0.82 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19987838 0.82 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Bromide SCHEMBL21332093 0.82 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL1117746 0.82 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7661020 0.82 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
Fluoride SCHEMBL21331909 0.82 HCAR2 (0.67) HCAR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2645556 0.79 SIRT2 (0.47) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL3181717 0.78 MKNK1 (0.69) HCAR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL186161 0.76 KDM4E (0.59) HCAR2ALDH1A1KDM4EMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-07-03 US claimed
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-07-03 US claimed
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-06-26 US claimed
US-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-06-19 US claimed
US-20030109528-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-06-12 US claimed
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-06-05 US claimed
US-20030100559-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-05-29 US claimed
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-22 US claimed
US-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-05-08 US claimed
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-05-01 US claimed
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-02-13 US claimed
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP claimed
US-6765023-B2 SUCH AS 3-((3-(3-TRIFLUOROMETHOXYPHENOXY)PHENYL)((3-(1,1,2,2-TETRAFLUOROETHOXY) -PHENYL)METHYL) AMINO)-1,1,1-TRIFLUORO-2-PROPANOL FOR TREATING CARDIOVASCULAR DISORDERS AND DYSLIPIDEMIA PFIZER, INC. 2004-07-20 US disclosed
US-6723753-B2 TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES. PHARMACIA CORPORATION 2004-04-20 US disclosed
US-4205085-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1980-05-27 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT HCAR2 1015/4885ALDH1A1 2277/4885KDM4E 2831/4885
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT HCAR2 1015/4885ALDH1A1 2277/4885KDM4E 2831/4885
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT HCAR2 1015/4885ALDH1A1 2277/4885KDM4E 2831/4885
US-20030096818-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT HCAR2 1015/4885ALDH1A1 2277/4885KDM4E 2831/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP HCAR2 1151/4885ALDH1A1 2079/4885KDM4E 3107/4885
US-20030109528-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT HCAR2 1015/4885ALDH1A1 2277/4885KDM4E 2831/4885
US-20030087905-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT HCAR2 1015/4885ALDH1A1 2277/4885KDM4E 2831/4885
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT HCAR2 1015/4885ALDH1A1 2277/4885KDM4E 2831/4885
US-20030100559-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT HCAR2 1015/4885ALDH1A1 2277/4885KDM4E 2831/4885
US-20030083331-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT HCAR2 1015/4885ALDH1A1 2277/4885KDM4E 2831/4885
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PCTP HCAR2 822/4885ALDH1A1 2611/4885KDM4E 1432/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP HCAR2 1388/4885ALDH1A1 2588/4885KDM4E 3603/4885
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT HCAR2 1015/4885ALDH1A1 2277/4885KDM4E 2831/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.