SCHEMBL641108

SCHEMBL641108

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCCCC3)c3ccccc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
HPGD P15428 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.38
F10 P00742 4/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL641120 0.99 PPARG (0.43) MEN1KMT2APPARGPPARAPOLB
SCHEMBL639656 0.97 PPARG (0.43) MEN1KMT2APPARGPPARAPOLB
SCHEMBL642043 0.93 CHRM1 (0.40) MEN1KMT2APPARGPPARAALDH1A1
SCHEMBL642204 0.92 PPARG (0.42) MEN1KMT2APPARGPPARAALDH1A1
SCHEMBL640576 0.92 LMNA (0.42) MEN1KMT2APPARGPPARAALDH1A1
SCHEMBL641164 0.91 ALDH1A1 (0.46) MEN1KMT2APPARGPPARAALDH1A1
SCHEMBL639644 0.89 MEN1 (0.40) MEN1KMT2APPARGPPARAPOLB
SCHEMBL640782 0.89 MEN1 (0.40) MEN1KMT2APPARGPPARAPOLB
SCHEMBL639944 0.89 MEN1 (0.40) MEN1KMT2APPARGPPARAPOLB
SCHEMBL639751 0.88 MEN1 (0.43) MEN1KMT2APPARGPPARAMMP1

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 MEN1 43/4885KMT2A 4356/4885PPARG 1201/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MEN1 43/4885KMT2A 4356/4885PPARG 1201/4885

“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.