SCHEMBL641645

SCHEMBL641645

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(c4ccncc4)CC3)c3ccccc3)c3ccccc32)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.44
AVPR1B P47901 6/20 0.43
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
CHRM1 P11229 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL638734 0.93 AVPR1B (0.42) ROCK2AVPR1BMAPK1GAAMAPT
SCHEMBL643060 0.93 AVPR1B (0.42) ROCK2AVPR1BMAPK1GAAMAPT
SCHEMBL639771 0.91 AVPR1B (0.51) ROCK2AVPR1BMAPK1GAAMAPT
SCHEMBL639809 0.88 AVPR1B (0.40) ROCK2AVPR1BMAPK1GAAMAPT
SCHEMBL642334 0.88 MAPK1 (0.46) ROCK2MAPK1GAAMAPTTP53
SCHEMBL640572 0.88 ROCK2 (0.45) ROCK2AVPR1BMAPK1GAAMAPT
SCHEMBL642642 0.85 POLB (0.39) ROCK2AVPR1BMAPK1GAAMAPT
SCHEMBL640723 0.85 AVPR1B (0.43) ROCK2AVPR1BMAPK1GAAMAPT
SCHEMBL641077 0.85 CHRM1 (0.40) ROCK2AVPR1BMAPK1GAAMAPT
SCHEMBL642071 0.82 CHRM2 (0.39) AVPR1BMAPK1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 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 (2 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ROCK2 2856/4885AVPR1B 2/4885MAPK1 2454/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ROCK2 2856/4885AVPR1B 2/4885MAPK1 2454/4885

“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.