SCHEMBL640161

SCHEMBL640161

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)NCc3ccccc3)c3ccccc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MDM2 Q00987 1/20 0.41
CYP2D6 P10635 2/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL642687 0.92 POLB (0.47) SMN1; SMN2POLBGAAALDH1A1MMP1
SCHEMBL641268 0.89 ALDH1A1 (0.44) SMN1; SMN2PPARGPPARAKMT2AGAA
SCHEMBL640892 0.89 PPARG (0.44) SMN1; SMN2PPARGPPARAMAPTKMT2A
SCHEMBL640078 0.87 RXFP1 (0.46) SMN1; SMN2PPARGPPARAMAPTKMT2A
SCHEMBL642810 0.87 PPARG (0.41) PPARGPPARAMAPTKMT2AALDH1A1
SCHEMBL639914 0.87 PPARG (0.47) SMN1; SMN2PPARGPPARAMAPTKMT2A
SCHEMBL640177 0.86 PPARG (0.41) SMN1; SMN2PPARGPPARAMAPTKMT2A
SCHEMBL640764 0.86 PPARG (0.42) PPARGPPARAMAPTKMT2APSEN1
SCHEMBL640002 0.85 GAA (0.42) PPARGPPARAKMT2APOLBGAA
SCHEMBL641191 0.85 HTR6 (0.43) SMN1; SMN2PPARGPPARAMAPTKMT2A

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 PKM 1171/4885SMN1; SMN2 3474/4885PPARG 1201/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A PKM 1171/4885SMN1; SMN2 3474/4885PPARG 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.