SCHEMBL939382

SCHEMBL939382

COc1cc(C)c(S(=O)(=O)N(C)Cc2nc3c(C(=O)O)cccc3s2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
STAT5B P51692 1/20 0.37
BDKRB1 P46663 9/20 0.37
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KEAP1 Q14145 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 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
SCHEMBL939371 0.92 MAPT (0.38) SMN1; SMN2BDKRB1LMNAMAPTHTT
SCHEMBL11947913 0.86 MAPT (0.36) SMN1; SMN2BDKRB1LMNAMAPTHTT
SCHEMBL11947912 0.84 BDKRB1 (0.35) SMN1; SMN2BDKRB1LMNAMAPTHTT
SCHEMBL11947900 0.84 CLK1 (0.40) MAPTKMT2ATHRBMEN1
SCHEMBL940269 0.84 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMAPTHTTNPSR1
SCHEMBL11947911 0.83 MMP1 (0.35) SMN1; SMN2BDKRB1LMNAMAPT
SCHEMBL11947910 0.83 BDKRB1 (0.36) SMN1; SMN2BDKRB1
SCHEMBL939380 0.80 KMT2A (0.36) SMN1; SMN2LMNAMAPTHTTKMT2A
SCHEMBL938403 0.79 CYP3A4 (0.46) SMN1; SMN2NPSR1KMT2AMAPK1
SCHEMBL937726 0.78 CYP3A4 (0.44) SMN1; SMN2KMT2AMEN1MAPK1

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 SMN1; SMN2 2944/4885STAT5B 1104/4885BDKRB1 1/4885

“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.