Sugi Predict

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SCHEMBL641077

SCHEMBL641077

COc1ccccc1S(=O)(=O)n1c(=O)n(C(C(=O)N2CCN(c3ccncc3)CC2)c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 5/20 0.40
▸ AVPR1B P47901 1/20 0.40
▸ LMNA P02545 4/20 0.40
▸ TSHR P16473 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RBP4 P02753 1/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ F10 P00742 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ F2 P00734 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
SCHEMBL643060 0.93 AVPR1B (0.42) AVPR1BLMNATSHRMAPTRBP4
SCHEMBL642642 0.93 POLB (0.39) CHRM1AVPR1BLMNATSHRMAPT
SCHEMBL638734 0.90 AVPR1B (0.42) AVPR1BLMNATSHRMAPTRBP4
SCHEMBL639809 0.88 AVPR1B (0.40) AVPR1BLMNATSHRMAPTNPSR1
SCHEMBL641231 0.88 MAPK1 (0.42) CHRM1AVPR1BLMNATSHRMAPT
SCHEMBL640572 0.88 ROCK2 (0.45) CHRM1AVPR1BLMNATSHRMAPT
SCHEMBL640278 0.88 CHRM1 (0.45) CHRM1LMNATSHRNPSR1MAPK1
SCHEMBL640723 0.87 AVPR1B (0.43) CHRM1AVPR1BLMNATSHRMAPT
SCHEMBL639890 0.85 MAPT (0.49) CHRM1AVPR1BLMNATSHRMAPT
SCHEMBL640089 0.85 MAPK1 (0.42) CHRM1AVPR1BLMNATSHRMAPT

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 CHRM1 112/4885AVPR1B 2/4885LMNA 886/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CHRM1 112/4885AVPR1B 2/4885LMNA 886/4885

“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.