SCHEMBL938962

SCHEMBL938962

COC(=O)c1cccc2nc(N(C)S(=O)(=O)c3c(C)cc(OC)cc3C)n(C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
PIK3CG P48736 2/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PLA2G1B P04054 1/20 0.36
HTT P42858 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DHODH Q02127 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL938282 0.91 DHODH (0.44) LMNAMAPTNPSR1PLA2G1BHTT
SCHEMBL11947880 0.84 PARP1 (0.42) CYP2C9LMNAMAPTNPSR1KDM4E
SCHEMBL939690 0.79 CYP2C9 (0.45) CYP2C9LMNAMAPTNPSR1HTT
SCHEMBL11947884 0.79 CYP2C9 (0.45) CYP2C9LMNAMAPTNPSR1KDM4E
SCHEMBL939284 0.78 CYP2D6 (0.47) CYP2C9TSHRALDH1A1HPGDKMT2A
SCHEMBL11947883 0.78 PARP1 (0.43) MAPTNPSR1TSHRHPGDKMT2A
SCHEMBL940732 0.77 CYP3A4 (0.45) CYP2C9TSHRALDH1A1HPGD
SCHEMBL11947886 0.74 THRB (0.45) LMNAMAPTNPSR1HTTKDM4E
SCHEMBL939378 0.74 PPARG (0.39) NPSR1KDM4ETSHRHPGDHSD17B10
SCHEMBL937880 0.73 MAPT (0.39) CYP2C9LMNAMAPTNPSR1HTT

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 7 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
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

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 CYP2C9 362/4885PIK3CG 2365/4885LMNA 2065/4885

“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.