SCHEMBL937879

SCHEMBL937879

COC(=O)c1cccc2sc(NCS(=O)(=O)c3c(C)cc(OC)cc3C)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 4/20 0.43
NPC1 O15118 3/20 0.43
MAPK1 P28482 3/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 7/20 0.42
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DUSP3 P51452 2/20 0.39
AGTR1 P30556 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL939371 0.80 MAPT (0.38) LMNAALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL939380 0.78 KMT2A (0.36) LMNAALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL937880 0.77 MAPT (0.39) LMNAALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL939382 0.71 SMN1; SMN2 (0.38) LMNASMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL12109867 0.69 MAPT (0.50) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL11947889 0.69 PKM (0.50) LMNAALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL940269 0.69 SMN1; SMN2 (0.38) LMNAALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL938280 0.68 DHODH (0.43) LMNAALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL937873 0.67 PARP1 (0.41) ALDH1A1HPGDSMN1; SMN2GAAMAPT
SCHEMBL11947881 0.67 PARP1 (0.44) LMNAALDH1A1SMN1; SMN2MEN1KMT2A

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 5 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
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
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 LMNA 2065/4885ALDH1A1 1533/4885HPGD 1251/4885

“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.