SCHEMBL641120

SCHEMBL641120

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCCC3)c3ccccc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CHRM5 P08912 1/20 0.38
OPRK1 P41145 1/20 0.38
CNR1 P21554 1/20 0.38
MAPT P10636 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
SCHEMBL641108 0.99 MEN1 (0.43) PPARGPPARAMEN1KMT2APOLB
SCHEMBL639656 0.98 PPARG (0.43) PPARGPPARAMEN1KMT2APOLB
SCHEMBL642043 0.94 CHRM1 (0.40) PPARGPPARAMEN1KMT2AMMP1
SCHEMBL642204 0.93 PPARG (0.42) PPARGPPARAMEN1KMT2AMMP1
SCHEMBL640576 0.93 LMNA (0.42) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL641164 0.92 ALDH1A1 (0.46) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL640782 0.90 MEN1 (0.40) PPARGPPARAMEN1KMT2APOLB
SCHEMBL639944 0.90 MEN1 (0.40) PPARGPPARAMEN1KMT2APOLB
SCHEMBL639644 0.90 MEN1 (0.40) PPARGPPARAMEN1KMT2APOLB
SCHEMBL639751 0.89 MEN1 (0.43) PPARGPPARAMEN1KMT2AMMP1

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 PPARG 1201/4885PPARA 1651/4885MEN1 43/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A PPARG 1201/4885PPARA 1651/4885MEN1 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.