SCHEMBL1404528

SCHEMBL1404528

N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
GAA P10253 3/20 0.51
HPGD P15428 2/20 0.51
GALR3 O60755 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CNR1 P21554 11/20 0.49
CNR2 P34972 7/20 0.49
MCL1 Q07820 1/20 0.49
GLA P06280 2/20 0.46
PIM1 P11309 2/20 0.46
ATM Q13315 2/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PDE5A O76074 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.43
PDE4A P27815 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL1404496 0.89 CNR1 (0.49) KDM4EGAAHPGDGALR3ALDH1A1
SCHEMBL5363847 0.88 KDM4E (0.59) KDM4EGAAHPGDGALR3ALDH1A1
SCHEMBL19835567 0.87 MCL1 (0.55) KDM4EGAAHPGDGALR3ALDH1A1
SCHEMBL3621034 0.85 CNR1 (0.46) KDM4EGAAHPGDGALR3ALDH1A1
SCHEMBL3401285 0.85 MCL1 (0.45) KDM4EGAAHPGDGALR3ALDH1A1
SCHEMBL5363935 0.82 CNR1 (0.51) KDM4EGAAHPGDGALR3ALDH1A1
SCHEMBL5363205 0.82 KDM4E (0.49) KDM4EGAAHPGDGALR3ALDH1A1
SCHEMBL19835568 0.81 KDM4E (0.51) KDM4EGAAHPGDGALR3ALDH1A1
SCHEMBL3479424 0.79 HPGD (0.48) KDM4EGAAHPGDGALR3ALDH1A1
SCHEMBL1404527 0.78 CNR1 (0.44) KDM4EALDH1A1CNR1CNR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999107-B2 Psychological disorders; cognition activators; Alzheimer's disease; headaches; nervous system antiinflammatory agents; antiepileptic agents; Parkinson's disease; Huntington's disease; schizophrenia; eating disorders MERCK SHARP & DOHME CORP. (US) 2011-08-16 US disclosed
EP-2109615-B1 SUBSTITUTED PYRANO [2, 3 - B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-03-09 EP disclosed
US-7728141-B2 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. (US) 2010-06-01 US disclosed
US-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-11 US disclosed
US-20100029697-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
EP-2139333-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 EP disclosed
EP-2139332-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 EP disclosed
EP-1682550-B1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2009-12-23 EP disclosed
EP-2109615-A1 SUBSTITUTED PYRANO [2, 3 - B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-10-21 EP disclosed
WO-2008121257-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-09 WO disclosed
WO-2008094476-A1 SUBSTITUTED PYRANO [2, 3 - B] PYRIDINE DERIVATIVES AS CANNABINOID -1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-08-07 WO disclosed
EP-1558252-B1 SUBSTITUTED FURO [2,3-B]PYRIDINE DERIVATIVES MERCK & CO INC (US) 2007-10-10 EP disclosed
US-7271266-B2 Substituted 2,3-diphenyl pyridines MERCK & CO., INC. (US) 2007-09-18 US disclosed
US-20070032517-A1 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. 2007-02-08 US disclosed
US-7091216-B2 Substituted furo[2,3-b]pyridine derivatives MERCK & CO., INC. (US) 2006-08-15 US disclosed
EP-1558252-A4 SUBSTITUTED FURO 2,3-B| PYRIDINE DERIVATIVES MERCK & CO INC (US) 2006-05-17 EP disclosed
US-20050272763-A1 Substituted furo[2,3-b]pyridine derivatives MERCK SHARP & DOHME CORP. 2005-12-08 US disclosed
US-20050182103-A1 Substituted 2,3-diphenyl pyridines MERCK SHARP & DOHME CORP. 2005-08-18 US disclosed
EP-1558252-A2 SUBSTITUTED FURO 2,3-B] PYRIDINE DERIVATIVES Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2004012671-A2 SUBSTITUTED FURO [2,3-B] PYRIDINE DERIVATIVES MERCK & CO., INC. (US) 2004-02-12 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-20050182103-A1 Substituted 2,3-diphenyl pyridines CNR1, CNR2, MAG KDM4E 1804/4885GAA 2103/4885HPGD 3108/4885
US-20100029697-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH KDM4E 1920/4885GAA 1820/4885HPGD 3349/4885
US-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH KDM4E 2628/4885GAA 1986/4885HPGD 2546/4885
US-20050272763-A1 Substituted furo[2,3-b]pyridine derivatives CNR1, CNR2, FAAH KDM4E 2740/4885GAA 2038/4885HPGD 3115/4885
US-20070032517-A1 Substituted naphthyridinone derivatives CNR1, CNR2, MAG KDM4E 3301/4885GAA 722/4885HPGD 1445/4885

“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.