SCHEMBL2264301

SCHEMBL2264301

Nc1cc(Cl)c(C#Cc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP3A4 P08684 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE7A Q13946 4/20 0.42
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 4/20 0.39

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
SCHEMBL11799215 0.84 CASP3 (0.51) CASP3SENP8SENP7SENP6MAPT
SCHEMBL2265967 0.80 MAPT (0.57) CASP3SENP8SENP7SENP6MAPT
SCHEMBL1065521 0.77 TDP1 (0.53) CASP3SENP8SENP7SENP6MAPT
SCHEMBL9356251 0.77 CASP3 (0.54) CASP3SENP8SENP7SENP6MAPT
SCHEMBL1192365 0.75 VCAM1 (0.51) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL15544750 0.75 HSD17B10 (0.51) CASP3SENP8SENP7SENP6MAPT
SCHEMBL28760470 0.75 TSHR (0.50) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL29669613 0.75 VCAM1 (0.59) CASP3SENP8SENP7SENP6MAPT
SCHEMBL6421514 0.74 CASP3 (0.48) CASP3SENP8SENP7SENP6MAPT
SCHEMBL12609350 0.74 CASP3 (0.48) CASP3SENP8SENP7SENP6MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352374-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
EP-2352374-B1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8563746-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-10-22 US disclosed
US-8563746-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-10-22 US disclosed
US-8563746-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP (US) 2013-10-22 US disclosed
US-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2011-08-11 US disclosed
US-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2011-08-11 US disclosed
WO-2010051176-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 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-20110195964-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 CASP3 2948/4885SENP8 3765/4885SENP7 3409/4885

“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.