Sugi Predict

Sugi Predict / Compounds / SCHEMBL642605

SCHEMBL642605

SCHEMBL642605

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.41
▸ CHRM1 P11229 3/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ SLC6A9 P48067 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PANK3 Q9H999 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ TNF P01375 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ CYP21A2 P08686 1/20 0.35

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
SCHEMBL642439 0.88 MAPT (0.43) F10CHRM1CYP3A4MAPTKMT2A
SCHEMBL639903 0.88 CYP3A4 (0.39) F10CHRM1FNTAFNTBCYP3A4
SCHEMBL639916 0.86 AVPR1B (0.41) F10CHRM1CYP3A4MAPTP2RX7
SCHEMBL640140 0.86 HTT (0.42) F10CHRM1FNTAFNTBCYP3A4
SCHEMBL641447 0.85 AVPR1B (0.38) F10CHRM1FNTAFNTBCYP3A4
SCHEMBL27776788 0.85 F10 (0.38) F10CHRM1FNTAFNTBCYP3A4
SCHEMBL641515 0.82 F10 (0.47) F10CHRM1FNTAFNTBKCNH2
SCHEMBL639653 0.81 F10 (0.39) F10CHRM1CYP3A4SLC6A9KCNH2
SCHEMBL641820 0.80 LSS (0.39) F10CHRM1FNTAFNTBCYP3A4
SCHEMBL641323 0.79 AVPR1B (0.41) F10MAPTKMT2ANPSR1TP53

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 F10 276/4885CHRM1 112/4885FNTA 4607/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A F10 276/4885CHRM1 112/4885FNTA 4607/4885

“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.