SCHEMBL638734

SCHEMBL638734

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(c4ccncc4)CC3)c3ccccc3)c3ccc(Cl)cc32)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 8/20 0.42
TSHR P16473 2/20 0.41
ROCK2 O75116 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 3/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
RECQL P46063 1/20 0.39
RBP4 P02753 1/20 0.37
MEN1 O00255 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
SCHEMBL643060 0.97 AVPR1B (0.42) AVPR1BTSHRROCK2KMT2AALDH1A1
SCHEMBL639809 0.93 AVPR1B (0.40) AVPR1BTSHRROCK2KMT2AALDH1A1
SCHEMBL641645 0.93 ROCK2 (0.44) AVPR1BROCK2ALDH1A1MAPK1MAPT
SCHEMBL640572 0.92 ROCK2 (0.45) AVPR1BTSHRROCK2KMT2AALDH1A1
SCHEMBL642642 0.90 POLB (0.39) AVPR1BTSHRROCK2KMT2AALDH1A1
SCHEMBL640723 0.90 AVPR1B (0.43) AVPR1BTSHRROCK2KMT2AALDH1A1
SCHEMBL641077 0.90 CHRM1 (0.40) AVPR1BTSHRROCK2ALDH1A1LMNA
SCHEMBL640089 0.90 MAPK1 (0.42) AVPR1BTSHRROCK2KMT2AALDH1A1
SCHEMBL641231 0.87 MAPK1 (0.42) AVPR1BTSHRROCK2KMT2AALDH1A1
SCHEMBL639771 0.87 AVPR1B (0.51) AVPR1BROCK2MAPK1MAPTGAA

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 4 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

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

“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.