Sugi Predict

Sugi Predict / Compounds / SCHEMBL641866

SCHEMBL641866

SCHEMBL641866

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(C4CCCNC4)CC3)c3ccccc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HTR6 P50406 2/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MMP1 P03956 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP13 P45452 2/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ OGT O15294 1/20 0.35
▸ APP P05067 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
SCHEMBL639958 0.92 ALDH1A1 (0.41) ALDH1A1KDM4EHTR6PPARGPPARA
SCHEMBL641617 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EPPARGPPARAGAA
SCHEMBL642038 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EPPARGPPARAGAA
SCHEMBL642771 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EPPARGPPARAGAA
SCHEMBL640662 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EHTR6PPARGPPARA
SCHEMBL641978 0.87 MEN1 (0.40) ALDH1A1KDM4EHTR6PPARGPPARA
SCHEMBL640163 0.86 MEN1 (0.38) ALDH1A1KDM4EPPARGPPARAMEN1
SCHEMBL639821 0.86 MEN1 (0.38) ALDH1A1KDM4EPPARGPPARAMEN1
SCHEMBL639822 0.86 MEN1 (0.38) ALDH1A1KDM4EPPARGPPARAMEN1
SCHEMBL639656 0.86 PPARG (0.43) ALDH1A1PPARGPPARAMEN1KMT2A

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 ALDH1A1 586/4885KDM4E 4508/4885HTR6 826/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ALDH1A1 586/4885KDM4E 4508/4885HTR6 826/4885

“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.