SCHEMBL938429

SCHEMBL938429

COC(=O)c1cccc2nc(CN(C)C(=O)c3ccccc3Cl)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
NR4A2 P43354 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 2/20 0.39
P2RX7 Q99572 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
APLNR P35414 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL937935 0.88 POLB (0.43) KMT2AMEN1P2RX7CDK4CCND1
SCHEMBL938849 0.85 RAB9A (0.38) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL939372 0.83 POLB (0.40) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL940643 0.79 NPC1 (0.43) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL11947879 0.79 CACNA1G (0.44) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL937728 0.79 KDM4E (0.35) F2KDM4EKMT2AMAPTHPGD
SCHEMBL7002080 0.79 KDM4E (0.48) NPC1RAB9AKDM4EKMT2AMAPT
SCHEMBL7721019 0.77 DDAH1 (0.44) KDM4EKMT2AMAPTHPGDSMN1; SMN2
SCHEMBL1552358 0.76 RNASEH1 (0.54) KDM4EKMT2AMAPTHPGDSMN1; SMN2
SCHEMBL11947875 0.76 BDKRB1 (0.40) NPC1RAB9AKDM4EKMT2AMAPT

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 9 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

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 F2 753/4885NPC1 2231/4885RAB9A 4564/4885

“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.