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SCHEMBL639903

SCHEMBL639903

N#Cc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(c4ccncc4)CC3)c3ccccc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.39
▸ F10 P00742 4/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ LSS P48449 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ TP53 P04637 1/20 0.34

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
SCHEMBL639653 0.94 F10 (0.39) CYP3A4F10CHRM1F2PRSS1
SCHEMBL641820 0.92 LSS (0.39) CYP3A4F10CHRM1LMNATSHR
SCHEMBL640278 0.92 CHRM1 (0.45) CYP3A4F10CHRM1LMNATSHR
SCHEMBL639916 0.91 AVPR1B (0.41) CYP3A4F10CHRM1LMNATSHR
SCHEMBL641636 0.89 CYP3A4 (0.47) CYP3A4F10CHRM1LMNATSHR
SCHEMBL641447 0.89 AVPR1B (0.38) CYP3A4F10CHRM1TSHRFNTA
SCHEMBL641231 0.88 MAPK1 (0.42) CYP3A4F10CHRM1LMNATSHR
SCHEMBL642605 0.88 F10 (0.41) CYP3A4F10CHRM1NPSR1FNTA
SCHEMBL640140 0.88 HTT (0.42) CYP3A4F10CHRM1LMNAMAPK1
SCHEMBL640193 0.88 AVPR1B (0.43) MAPK1

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 CYP3A4 2218/4885F10 276/4885CHRM1 112/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CYP3A4 2218/4885F10 276/4885CHRM1 112/4885

“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.