SCHEMBL642312

SCHEMBL642312

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CC[C@@H](N)C3)c3ccccc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CHRM5 P08912 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
GHSR Q92847 5/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
OPRK1 P41145 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL640713 1.00 MEN1 (0.41) MEN1KMT2ACHRM5PPARGPPARA
SCHEMBL640714 1.00 MEN1 (0.41) MEN1KMT2ACHRM5PPARGPPARA
SCHEMBL640782 0.95 MEN1 (0.40) MEN1KMT2ACHRM5PPARGPPARA
SCHEMBL639944 0.95 MEN1 (0.40) MEN1KMT2ACHRM5PPARGPPARA
SCHEMBL639644 0.95 MEN1 (0.40) MEN1KMT2ACHRM5PPARGPPARA
SCHEMBL639751 0.94 MEN1 (0.43) MEN1KMT2ACHRM5PPARGPPARA
SCHEMBL639854 0.89 HCRTR1 (0.39) CHRM5GHSRALDH1A1TSHRHCRTR1
SCHEMBL639699 0.89 HCRTR1 (0.39) CHRM5GHSRALDH1A1TSHRHCRTR1
SCHEMBL639700 0.89 HCRTR1 (0.39) CHRM5GHSRALDH1A1TSHRHCRTR1
SCHEMBL639656 0.88 PPARG (0.43) MEN1KMT2ACHRM5PPARGPPARA

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 4356/4885CHRM5 702/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MEN1 43/4885KMT2A 4356/4885CHRM5 702/4885

“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.