Sugi Predict

Sugi Predict / Compounds / SCHEMBL641447

SCHEMBL641447

SCHEMBL641447

COc1ccccc1C(C(=O)N1CCN(c2ccncc2)CC1)n1c(=O)n(S(=O)(=O)c2ccc(C#N)cc2)c2ccc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 9/20 0.38
▸ F10 P00742 3/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ RBP4 P02753 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ SLC6A9 P48067 1/20 0.34
▸ KCNH2 Q12809 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
SCHEMBL640845 0.92 AVPR1B (0.42) AVPR1BF10CHRM1CYP3A4RBP4
SCHEMBL639903 0.89 CYP3A4 (0.39) F10CHRM1CYP3A4TSHRFNTA
SCHEMBL639916 0.88 AVPR1B (0.41) AVPR1BF10CHRM1CYP3A4TSHR
SCHEMBL642605 0.85 F10 (0.41) F10CHRM1CYP3A4FNTAFNTB
SCHEMBL640723 0.85 AVPR1B (0.43) AVPR1BF10CHRM1TSHR
SCHEMBL639633 0.84 HTR6 (0.36) F10CYP3A4KCNH2
SCHEMBL641231 0.83 MAPK1 (0.42) AVPR1BF10CHRM1CYP3A4TSHR
SCHEMBL639653 0.83 F10 (0.39) AVPR1BF10CHRM1CYP3A4SLC6A9
SCHEMBL640193 0.82 AVPR1B (0.43) AVPR1B
SCHEMBL640140 0.82 HTT (0.42) F10CHRM1CYP3A4ALOX15FNTA

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 2/4885F10 276/4885CHRM1 112/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885F10 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.