SCHEMBL937880

SCHEMBL937880

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
CYP2C9 P11712 1/20 0.39
BACE1 P56817 1/20 0.38
LMNA P02545 5/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
RAD52 P43351 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 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
SCHEMBL940269 0.92 SMN1; SMN2 (0.38) MAPTLMNAKMT2AMEN1RAD52
SCHEMBL939371 0.84 MAPT (0.38) MAPTPPARGNCOA2NCOA1NCOA3
SCHEMBL11947888 0.83 SMN1; SMN2 (0.37) MAPTLMNAKMT2AMEN1RAD52
SCHEMBL13050516 0.83 SMN1; SMN2 (0.37) MAPTCYP2C9LMNAKMT2AMEN1
SCHEMBL11947880 0.77 PARP1 (0.42) MAPTCYP2C9LMNAKMT2AALDH1A1
SCHEMBL937879 0.77 LMNA (0.43) MAPTPPARGNCOA2NCOA1NCOA3
SCHEMBL938881 0.77 CYP3A4 (0.47) CYP2C9KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL938351 0.76 CYP3A4 (0.46) CYP2C9ALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL939382 0.76 SMN1; SMN2 (0.38) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL938962 0.73 CYP2C9 (0.38) MAPTCYP2C9LMNAKMT2AALDH1A1

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 MAPT 810/4885PPARG 625/4885NCOA2 2774/4885

“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.