SCHEMBL937980

SCHEMBL937980

COC(=O)c1cccc2nc(CN(C)S(=O)(=O)c3c(C)cc(OC)cc3C)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.38
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 4/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 2/20 0.36
PIK3CG P48736 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL940325 0.93 BDKRB1 (0.39) BDKRB1KDM4EALDH1A1TSHRMAPT
SCHEMBL941264 0.91 KDM4C (0.41) BDKRB1KDM4ENPC1RAB9AALDH1A1
SCHEMBL938173 0.91 CACNA1G (0.39) BDKRB1KDM4EHSD17B10LMNA
SCHEMBL11888787 0.90 BDKRB1 (0.38) BDKRB1KDM4ENPC1RAB9AALDH1A1
SCHEMBL937863 0.88 ALDH1A1 (0.45) BDKRB1KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL937728 0.87 KDM4E (0.35) KDM4EHSD17B10ALDH1A1TSHRMAPT
SCHEMBL940643 0.85 NPC1 (0.43) KDM4EHSD17B10NPC1RAB9AALDH1A1
SCHEMBL938966 0.85 PTGS2 (0.38) KDM4EHSD17B10ALDH1A1TSHRMAPT
SCHEMBL11947899 0.85 KDM5B (0.38) BDKRB1NPC1RAB9AALDH1A1TSHR
SCHEMBL940181 0.85 BDKRB1 (0.39) BDKRB1KDM4EHSD17B10NPC1RAB9A

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 BDKRB1 1/4885KDM4E 3005/4885HSD17B10 3943/4885

“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.