SCHEMBL938892

SCHEMBL938892

COc1cc(C)c(S(=O)(=O)N(C)Cc2nc3cccc(CCl)c3[nH]2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.37
BDKRB1 P46663 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL939297 0.90 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2TSHRBDKRB1
SCHEMBL939595 0.87 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2TSHRBDKRB1
SCHEMBL940181 0.86 BDKRB1 (0.39) ALDH1A1LMNASMN1; SMN2TSHRBDKRB1
SCHEMBL941264 0.83 KDM4C (0.41) ALDH1A1LMNASMN1; SMN2TSHRBDKRB1
SCHEMBL11888787 0.82 BDKRB1 (0.38) ALDH1A1LMNATSHRBDKRB1NPC1
SCHEMBL937980 0.82 BDKRB1 (0.38) ALDH1A1LMNATSHRBDKRB1NPC1
SCHEMBL11947899 0.79 KDM5B (0.38) ALDH1A1LMNATSHRBDKRB1NPC1
SCHEMBL938863 0.77 CYP2D6 (0.39) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL11954973 0.76 BDKRB1 (0.38) ALDH1A1BDKRB1KDM4E
SCHEMBL11888800 0.76 BDKRB1 (0.40) BDKRB1

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 ALDH1A1 1533/4885LMNA 2065/4885SMN1; SMN2 2944/4885

“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.