SCHEMBL2546677

SCHEMBL2546677

Cc1cc(CBr)ccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
MAOB P27338 5/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
MAOA P21397 3/20 0.37
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1H O95180 2/20 0.34
TRPV4 Q9HBA0 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
CYP2A6 P11509 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL7714887 0.84 TSHR (0.43) TSHRMAOBMAOACACNA1HPDE3B
SCHEMBL8963330 0.83 ESR1 (0.48) TSHRNOS3NOS1MAOBMRGPRX4
SCHEMBL12763837 0.82 CYP2A6 (0.48) TSHRNOS3NOS1MAOBMRGPRX4
SCHEMBL5066101 0.81 MAOB (0.49) MAOBMAOATRPV4
SCHEMBL28248401 0.80 NOS3 (0.47) TSHRNOS3NOS1MAOBMRGPRX4
SCHEMBL8226653 0.80 LOXL2 (0.47) TSHRNOS3NOS1MAOBMRGPRX4
SCHEMBL536160 0.80 TSHR (0.43) TSHRNOS3NOS1MRGPRX4DPP4
SCHEMBL25786460 0.80 TSHR (0.43) TSHRNOS3NOS1MAOBMRGPRX4
SCHEMBL24528788 0.78 NOS3 (0.46) TSHRNOS3NOS1MRGPRX4CYP2A6
SCHEMBL20017753 0.78 LOXL2 (0.52) TSHRNOS3NOS1MRGPRX4CACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563043-B Substituted pyridines as inhibitors of DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2022-05-31 CN disclosed
US-11332459-B2 Benzimidazole derivatives and their uses TEIJIN PHARMA LIMITED (JP) 2022-05-17 US disclosed
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
EP-3197455-B1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME (US) 2020-12-30 EP disclosed
US-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES AMGEN INC. (US) 2020-10-01 US disclosed
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-27 US disclosed
EP-3468953-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-04-17 EP disclosed
US-10000501-B2 Inhibitors of HIF prolyl hydroxylase MERCK SHARP & DOHME CORP. (US) 2018-06-19 US disclosed
WO-2017216727-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2011136927-A1 3-(4-((1H-IMIDAZOL-1-YL)METHYL)PHENYL)-5-ARYL-1,2,4-OXADIAZOLE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2011-11-03 WO disclosed
US-20110263661-A1 3-(4-((1H-IMIDAZOL-1-YL)METHYL)PHENYL)-5-ARYL-1,2,4-OXADIAZOLE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2011-10-27 US disclosed
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
EP-2162436-A1 NOVEL CASE OF RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-03-17 EP disclosed
WO-2008141462-A9 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-01-08 WO disclosed
WO-2008141462-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-11-27 WO disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 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 (7 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-20110263661-A1 3-(4-((1H-IMIDAZOL-1-YL)METHYL)PHENYL)-5-ARYL-1,2,4-OXADIAZOLE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR3, S1PR1, S1PR4 TSHR 239/4885NOS3 2987/4885NOS1 3636/4885
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS REN, ACE, AGTR1 TSHR 2866/4885NOS3 3082/4885NOS1 2943/4885
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 DNMT1, DNMT3A, DNMT3B TSHR 539/4885NOS3 1137/4885NOS1 798/4885
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 DNMT1, DNMT3A, DNMT3B TSHR 539/4885NOS3 1137/4885NOS1 798/4885
US-20200308145-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USES TRPC6, TRPV6, TRPM6 TSHR 1677/4885NOS3 3377/4885NOS1 4098/4885
US-10000501-B2 Inhibitors of HIF prolyl hydroxylase HIF1AN, HIF1A, EGLN2 TSHR 2837/4885NOS3 213/4885NOS1 117/4885
US-11332459-B2 Benzimidazole derivatives and their uses TRPC6, TRPV6, TRPM6 TSHR 1677/4885NOS3 3377/4885NOS1 4098/4885

“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.