Sugi Predict

Sugi Predict / Compounds / SCHEMBL641245

SCHEMBL641245

SCHEMBL641245

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(c4ccncc4)CC3)c3cccc(OC)c3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.47
▸ CYP3A4 P08684 1/20 0.40
▸ F10 P00742 2/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ OGT O15294 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ AVPR1B P47901 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL641231 0.94 MAPK1 (0.42) ROCK2CYP3A4F10CHRM1ALDH1A1
SCHEMBL640444 0.93 F10 (0.42) ROCK2CYP3A4F10CHRM1ALDH1A1
SCHEMBL640089 0.91 MAPK1 (0.42) ROCK2CYP3A4F10CHRM1ALDH1A1
SCHEMBL640572 0.91 ROCK2 (0.45) ROCK2CHRM1ALDH1A1GAAMEN1
SCHEMBL641164 0.89 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AOGTMAPT
SCHEMBL640845 0.88 AVPR1B (0.42) ROCK2CYP3A4F10CHRM1ALDH1A1
SCHEMBL639916 0.88 AVPR1B (0.41) ROCK2CYP3A4F10CHRM1ALDH1A1
SCHEMBL642439 0.87 MAPT (0.43) ROCK2CYP3A4F10CHRM1ALDH1A1
SCHEMBL641516 0.86 AVPR1B (0.48) CYP3A4ALDH1A1GAAMAPTLMNA
SCHEMBL640278 0.86 CHRM1 (0.45) CYP3A4F10CHRM1LMNAMAPK1

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 ROCK2 2856/4885CYP3A4 2218/4885F10 276/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ROCK2 2856/4885CYP3A4 2218/4885F10 276/4885

“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.