SCHEMBL938394

SCHEMBL938394

COc1cc(C)c(C(=O)N(C)Cc2nc3cccc(C(=O)O)c3[nH]2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
KDM4C Q9H3R0 4/20 0.41
KDM5B Q9UGL1 3/20 0.41
KDM5A P29375 3/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
RXFP1 Q9HBX9 2/20 0.39
KDM4A O75164 1/20 0.38
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL940643 0.91 NPC1 (0.43) NPC1RAB9AKDM5AMEN1KMT2A
SCHEMBL941264 0.85 KDM4C (0.41) NPC1RAB9AKDM4CKDM5BKDM5A
SCHEMBL11947899 0.81 KDM5B (0.38) NPC1RAB9AKDM4CKDM5BKDM5A
SCHEMBL938392 0.80 KDM4C (0.40) RAB9AKDM4CKDM5BKDM5AMEN1
SCHEMBL938797 0.79 CYP2D6 (0.48) USP2
SCHEMBL11888800 0.78 BDKRB1 (0.40) KDM4CKDM5BKDM5AKDM4A
SCHEMBL938898 0.78 ALDH1A1 (0.47) KDM4CKDM5BKDM5AMEN1KMT2A
SCHEMBL938398 0.77 CYP3A4 (0.46) MEN1KMT2AUSP2
SCHEMBL11888809 0.76 BDKRB1 (0.39) KDM4CKDM5BKDM5A
SCHEMBL937935 0.76 POLB (0.43) KDM4CKDM5BKDM5AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
EP-2440542-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2012-04-18 EP disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 WO disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 NPC1 2231/4885RAB9A 4564/4885KDM4C 3227/4885

“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.