Sugi Predict

Sugi Predict / Compounds / SCHEMBL640845

SCHEMBL640845

SCHEMBL640845

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(c4ccncc4)CC3)c3ccccc3OC)c3cc(Cl)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 2/20 0.42
▸ F10 P00742 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ CHRM1 P11229 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ RBP4 P02753 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALOX15 P16050 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
SCHEMBL641447 0.92 AVPR1B (0.38) AVPR1BF10CHRM1CYP3A4TSHR
SCHEMBL640723 0.91 AVPR1B (0.43) AVPR1BF10ALDH1A1GAACHRM1
SCHEMBL641231 0.91 MAPK1 (0.42) AVPR1BF10ALDH1A1GAACHRM1
SCHEMBL640444 0.90 F10 (0.42) F10ALDH1A1GAACHRM1MEN1
SCHEMBL641245 0.88 ROCK2 (0.47) AVPR1BF10ALDH1A1GAACHRM1
SCHEMBL640089 0.88 MAPK1 (0.42) AVPR1BF10ALDH1A1GAACHRM1
SCHEMBL642439 0.87 MAPT (0.43) F10ALDH1A1GAACHRM1MEN1
SCHEMBL641164 0.86 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL639916 0.85 AVPR1B (0.41) AVPR1BF10ALDH1A1GAACHRM1
SCHEMBL642325 0.85 MAPT (0.49) AVPR1BF10ALDH1A1GAAMEN1

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 2/4885F10 276/4885ALDH1A1 586/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A AVPR1B 2/4885F10 276/4885ALDH1A1 586/4885

“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.