SCHEMBL643060

SCHEMBL643060

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(c4ccncc4)CC3)c3ccccc3)c3cc(Cl)ccc32)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 9/20 0.42
ROCK2 O75116 1/20 0.41
TSHR P16473 2/20 0.39
MAPK1 P28482 3/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
RBP4 P02753 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36

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 0.97 AVPR1B (0.42) AVPR1BROCK2TSHRMAPK1KMT2A
SCHEMBL639809 0.96 AVPR1B (0.40) AVPR1BROCK2TSHRMAPK1KMT2A
SCHEMBL640572 0.95 ROCK2 (0.45) AVPR1BROCK2TSHRMAPK1KMT2A
SCHEMBL640723 0.93 AVPR1B (0.43) AVPR1BROCK2TSHRMAPK1KMT2A
SCHEMBL642642 0.93 POLB (0.39) AVPR1BROCK2TSHRMAPK1KMT2A
SCHEMBL641077 0.93 CHRM1 (0.40) AVPR1BROCK2TSHRMAPK1ALDH1A1
SCHEMBL641645 0.93 ROCK2 (0.44) AVPR1BROCK2MAPK1ALDH1A1GAA
SCHEMBL641231 0.90 MAPK1 (0.42) AVPR1BROCK2TSHRMAPK1KMT2A
SCHEMBL639771 0.90 AVPR1B (0.51) AVPR1BROCK2MAPK1GAAMAPT
SCHEMBL641323 0.89 AVPR1B (0.41) AVPR1BROCK2TSHRMAPK1KMT2A

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 AVPR1B 2/4885ROCK2 2856/4885TSHR 498/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885ROCK2 2856/4885TSHR 498/4885

“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.