SCHEMBL3278046

SCHEMBL3278046

Nc1cccc(Oc2ccc(Br)c(F)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
MAPT P10636 3/20 0.54
POLB P06746 1/20 0.54
HSP90AA1 P07900 1/20 0.54
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MITF O75030 1/20 0.48
GAA P10253 1/20 0.48
GFER P55789 1/20 0.48
NLRP1 Q9C000 1/20 0.48
NOD2 Q9HC29 1/20 0.48
ATM Q13315 1/20 0.46
CYP3A4 P08684 2/20 0.44
LTA4H P09960 1/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL29799718 1.00 MAOB (0.56) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL31287823 0.84 MAPT (0.55) MAOBMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL21359775 0.82 MAOB (0.60) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL29799834 0.82 MMP2 (0.40) MAOBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL17235692 0.82 MMP2 (0.40) MAOBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL7420394 0.82 LTA4H (0.48) MAOBMAPTALDH1A1SMN1; SMN2MEN1
Fluoride SCHEMBL28103700 0.80 LTA4H (0.46) MAOBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL14289677 0.79 MAOB (0.56) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL19792025 0.79 MAOB (0.56) MAOBMAPTPOLBHSP90AA1ALDH1A1
SCHEMBL128748 0.79 MAOB (0.86) MAOBMAPTPOLBHSP90AA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11369620-B2 Pharmaceutical compositions and their use for treatment of cancer and autoimmune diseases Zhejiang DTRM Biopharma Co. Ltd. (CN) 2022-06-28 US disclosed
US-11369620-B2 Pharmaceutical compositions and their use for treatment of cancer and autoimmune diseases Zhejiang DTRM Biopharma Co. Ltd. (CN) 2022-06-28 US disclosed
EP-3138842-B1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS ZHEJIANG DTRM BIOPHARMA CO LTD (CN) 2020-12-09 EP disclosed
EP-3138842-B1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS ZHEJIANG DTRM BIOPHARMA CO LTD (CN) 2020-12-09 EP disclosed
US-20200323885-A1 Pharmaceutical Compositions and Their Use for Treatment of Cancer and Autoimmune Diseases Zhejiang DTRM Biopharma Co. Ltd. (CN) 2020-10-15 US disclosed
US-20200323885-A1 Pharmaceutical Compositions and Their Use for Treatment of Cancer and Autoimmune Diseases Zhejiang DTRM Biopharma Co. Ltd. (CN) 2020-10-15 US disclosed
US-10596183-B2 Pharmaceutical compositions and their use for treatment of cancer and autoimmune diseases Zhejiang DTRM Biopharma Co. Ltd. (CN) 2020-03-24 US disclosed
US-10596183-B2 Pharmaceutical compositions and their use for treatment of cancer and autoimmune diseases Zhejiang DTRM Biopharma Co. Ltd. (CN) 2020-03-24 US disclosed
US-20190192541-A1 Pharmaceutical Compositions and Their Use for Treatment of Cancer and Autoimmune Diseases Zhejiang DTRM Biopharma Co. Ltd. (CN) 2019-06-27 US disclosed
US-20190192541-A1 Pharmaceutical Compositions and Their Use for Treatment of Cancer and Autoimmune Diseases Zhejiang DTRM Biopharma Co. Ltd. (CN) 2019-06-27 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-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
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP disclosed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO 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 (5 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-10596183-B2 Pharmaceutical compositions and their use for treatment of cancer and autoimmune diseases BTK, BCL9, BCL9L MAOB 3569/4885MAPT 3298/4885POLB 2226/4885
US-20190192541-A1 Pharmaceutical Compositions and Their Use for Treatment of Cancer and Autoimmune Diseases BTK, BCL9, BCL9L MAOB 3569/4885MAPT 3298/4885POLB 2226/4885
US-11369620-B2 Pharmaceutical compositions and their use for treatment of cancer and autoimmune diseases BTK, BCL9, BCL9L MAOB 3569/4885MAPT 3298/4885POLB 2226/4885
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, DBI MAOB 1480/4885MAPT 2715/4885POLB 2463/4885
US-20200323885-A1 Pharmaceutical Compositions and Their Use for Treatment of Cancer and Autoimmune Diseases BTK, BCL9, BCL9L MAOB 3569/4885MAPT 3298/4885POLB 2226/4885

“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.