SCHEMBL4380440

SCHEMBL4380440

O=[N+]([O-])c1cccc(Oc2ccc(F)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.69
ALDH1A1 P00352 2/20 0.58
LTA4H P09960 1/20 0.54
PTGS2 P35354 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
PGR P06401 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LPAR3 Q9UBY5 1/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
FFAR1 O14842 1/20 0.46

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
SCHEMBL9356592 0.91 ALDH1A1 (0.67) HSPB1ALDH1A1LTA4HPTGS2KDM4E
SCHEMBL9158141 0.91 ALDH1A1 (0.67) HSPB1ALDH1A1LTA4HPTGS2KDM4E
SCHEMBL9214229 0.88 ALDH1A1 (0.73) HSPB1ALDH1A1LTA4HPTGS2KDM4E
SCHEMBL4203388 0.88 TSHR (0.67) ALDH1A1LTA4HPTGS2KDM4ELMNA
SCHEMBL8775401 0.86 ALDH1A1 (0.61) HSPB1ALDH1A1LTA4HPTGS2KDM4E
SCHEMBL30042572 0.86 ALDH1A1 (0.61) HSPB1ALDH1A1LTA4HPTGS2KDM4E
SCHEMBL4456862 0.86 ALDH1A1 (0.60) ALDH1A1LTA4HPTGS2KDM4ELMNA
SCHEMBL30043252 0.86 TSHR (0.64) ALDH1A1LTA4HPTGS2KDM4ELMNA
SCHEMBL6273333 0.86 TSHR (0.64) ALDH1A1LTA4HPTGS2KDM4ELMNA
SCHEMBL10829168 0.83 NFE2L2 (0.61) ALDH1A1LTA4HPTGS2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109475566-A Pharmaceutical composition and its purposes for treating cancer and autoimmune disease 浙江导明医药科技有限公司 2019-03-15 CN disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
EP-1115693-B9 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-12-19 EP disclosed
EP-1115693-B1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO CO (US) 2007-05-02 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed
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-6458803-B1 COMPOSITIONS AND METHODS FOR TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES. PREFERRED TERTIARY-HETEROALKYLAMINE COMPOUNDS ARE SUBSTITUTED N-PHENYL-N-HETEROARALKYL AMINOALCOHOLS. A PREFERRED SPECIFIC G.D. SEARLE & CO. 2002-10-01 US disclosed
US-6458852-B1 A METHOD OF TREATING OR PREVENTING A CETP-MEDIATED DISORDER IN A SUBJECT BY ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FOR CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-10-01 US disclosed
US-6458849-B1 METHOD OF TREATING OR PREVENTING A CEIP-MEDIATED DISORDER IN A SUBJECT BY ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND FOR STROKES G.D. SEARLE & CO. 2002-10-01 US disclosed
US-6455519-B1 TREATING ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. 2002-09-24 US disclosed
US-6451830-B1 Use of substituted N,N-disubstituted non-fused heterocyclo amino compounds for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-09-17 US disclosed
US-6451823-B1 Use of substituted N-phenoxy-N-phenyl aminoalcohol compounds for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2002-09-17 US disclosed
US-6448295-B1 TREATING CARDIOVASCULAR DISEASE; ATHEROSCLEROSIS, DYSLIPIDEMA HYPERCHOLESTEROLAEMIA; DECREASING CONCENTRATIONS OF LOW DENSITY LIPOPROTEIN AND RAISING LEVEL OF HIGH DENSITY LIPOPROTEIN G.D. SEARLE & CO. 2002-09-10 US disclosed
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-08-29 US disclosed
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 disclosed
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 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 (2 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-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, DBI HSPB1 3304/4885ALDH1A1 2895/4885LTA4H 1730/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 HSPB1 4378/4885ALDH1A1 2211/4885LTA4H 3442/4885

“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.