SCHEMBL1404496

SCHEMBL1404496

N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.49
MCL1 Q07820 1/20 0.49
CNR2 P34972 14/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.45
GALR3 O60755 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 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
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 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
SCHEMBL5363935 0.92 CNR1 (0.51) CNR1MCL1CNR2KDM4EHPGD
SCHEMBL5363205 0.92 KDM4E (0.49) CNR1MCL1CNR2KDM4EHPGD
SCHEMBL3621034 0.90 CNR1 (0.46) CNR1MCL1CNR2KDM4EHPGD
SCHEMBL3401285 0.90 MCL1 (0.45) CNR1MCL1CNR2KDM4EHPGD
SCHEMBL1404528 0.89 KDM4E (0.51) CNR1MCL1CNR2KDM4EHPGD
SCHEMBL3100284 0.89 KDM4E (0.50) CNR1MCL1CNR2KDM4EHPGD
SCHEMBL19835567 0.87 MCL1 (0.55) CNR1MCL1KDM4EHPGDGALR3
SCHEMBL5363847 0.82 KDM4E (0.59) CNR1MCL1KDM4EHPGDGALR3
SCHEMBL19835568 0.81 KDM4E (0.51) CNR1MCL1KDM4EHPGDGALR3
SCHEMBL9587750 0.77 KDM4E (0.73) CNR1MCL1KDM4EHPGDGALR3

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 21 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
EP-1682550-B1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2009-12-23 EP disclosed
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-08-28 US disclosed
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 US 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
EP-1682550-A4 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2007-01-03 EP disclosed
EP-1682550-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES Merck & Co., Inc. (US) 2006-07-26 EP 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-2005047285-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO., INC. (US) 2005-05-26 WO disclosed
EP-1492784-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES Merck & Co., Inc. (US) 2005-01-05 EP disclosed
US-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-04 US disclosed
WO-2004012671-A2 SUBSTITUTED FURO [2,3-B] PYRIDINE DERIVATIVES MERCK & CO., INC. (US) 2004-02-12 WO disclosed
WO-2003082191-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES MERCK & CO., INC. (US) 2003-10-09 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 CNR1 1/4885MCL1 602/4885CNR2 2/4885
US-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 MC1R, MCHR1, MCHR2 CNR1 301/4885MCL1 4764/4885CNR2 1382/4885
US-20050272763-A1 Substituted furo[2,3-b]pyridine derivatives CNR1, CNR2, FAAH CNR1 1/4885MCL1 696/4885CNR2 2/4885
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH CNR1 1/4885MCL1 845/4885CNR2 2/4885
US-20070032517-A1 Substituted naphthyridinone derivatives CNR1, CNR2, MAG CNR1 1/4885MCL1 622/4885CNR2 2/4885

“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.