SCHEMBL4326892

SCHEMBL4326892

COc1ccc(C#N)c(C(=O)c2cccc(F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 2/20 0.50
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
NPSR1 Q6W5P4 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
PGR P06401 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
SLC6A2 P23975 1/20 0.44
PDE4A P27815 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH1 P35367 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL4309730 0.85 ALDH1A1 (0.60) NPC1RAB9AALDH1A1KDM4ECES2
SCHEMBL4317392 0.84 CES2 (0.49) NPC1RAB9AKDM4ECES2CES1
SCHEMBL1868314 0.81 NPC1 (0.56) NPC1RAB9AALDH1A1KDM4ENPSR1
SCHEMBL2857587 0.81 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4ECES2
SCHEMBL9520003 0.80 RAB9A (0.74) NPC1RAB9AALDH1A1KDM4ECES2
SCHEMBL3480570 0.80 NPC1 (0.55) NPC1RAB9AALDH1A1KDM4ENPSR1
SCHEMBL3624583 0.80 NPC1 (0.55) NPC1RAB9AALDH1A1KDM4ENPSR1
SCHEMBL11050814 0.80 CES2 (0.54) NPC1RAB9AALDH1A1KDM4ECES2
SCHEMBL3091927 0.79 NPC1 (0.53) NPC1RAB9AALDH1A1KDM4ECES2
SCHEMBL2865103 0.78 NPC1 (0.46) NPC1RAB9AALDH1A1KDM4ECES2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
EP-1954128-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Merck & Co., Inc. (US) 2008-08-13 EP disclosed
WO-2007056210-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK & CO., INC. (US) 2007-05-18 WO disclosed
WO-2007056210-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK & CO., INC. (US) 2007-05-18 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 (1 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-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, ALOX5 NPC1 676/4885RAB9A 4391/4885ALDH1A1 347/4885

“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.