SCHEMBL939207

SCHEMBL939207

COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3cccc4ccccc34)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KIF11 P52732 1/20 0.42
CHEK2 O96017 1/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HTR6 P50406 2/20 0.41
PARP1 P09874 1/20 0.40
MAPK10 P53779 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL938694 0.89 NPSR1 (0.49) MAPK1ALDH1A1CHEK2HTR6MAPK10
SCHEMBL938746 0.85 KDM4E (0.52) MAPTSMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL939707 0.81 PRSS1 (0.41) MAPTSMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL11947901 0.80 NPSR1 (0.47) SMN1; SMN2MAPK1ALDH1A1CHEK2HTR6
SCHEMBL939162 0.80 ALDH1A1 (0.46) MAPTSMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL938582 0.80 ALDH1A1 (0.42) MAPTSMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL11947876 0.78 KDM4E (0.49) MAPTSMN1; SMN2MAPK1LMNAALDH1A1
SCHEMBL938870 0.76 CYP3A4 (0.46) SMN1; SMN2MAPK1ALDH1A1KMT2A
SCHEMBL1006418 0.74 NPSR1 (0.47) SMN1; SMN2MAPK1ALDH1A1CHEK2HDAC6
SCHEMBL940167 0.73 C1R (0.45) ALDH1A1KDM4EL3MBTL1HPGDKMT2A

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 MAPT 810/4885SMN1; SMN2 2944/4885MAPK1 570/4885

“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.