SCHEMBL638516

SCHEMBL638516

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCN(C4CCN(C)CC4)CC3)c3ccccc3OC)c3cc(Cl)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR6 P50406 2/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
F10 P00742 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
SCHEMBL639633 0.92 HTR6 (0.36) KDM4EALDH1A1HTR6CYP2D6CYP3A4
SCHEMBL640137 0.92 KMT2A (0.38) KDM4EALDH1A1MEN1KMT2ACHRM2
SCHEMBL642038 0.91 ALDH1A1 (0.43) KDM4EALDH1A1MEN1KMT2APPARG
SCHEMBL641312 0.89 ALDH1A1 (0.38) KDM4EALDH1A1MEN1KMT2AHTR6
SCHEMBL641894 0.88 ALDH1A1 (0.43) KDM4EALDH1A1MEN1KMT2APPARG
SCHEMBL640662 0.88 ALDH1A1 (0.43) KDM4EALDH1A1MEN1KMT2AHTR6
SCHEMBL642340 0.87 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2AHTR6
SCHEMBL641617 0.86 ALDH1A1 (0.43) KDM4EALDH1A1MEN1KMT2APPARG
SCHEMBL640986 0.84 KMT2A (0.38) KDM4EALDH1A1MEN1KMT2ACYP2D6
SCHEMBL639870 0.84 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2AHTR6

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 KDM4E 4508/4885ALDH1A1 586/4885MEN1 43/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A KDM4E 4508/4885ALDH1A1 586/4885MEN1 43/4885

“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.