SCHEMBL641102

SCHEMBL641102

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCCC(N)C3)c3ccccc3)c3cc(C#N)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
KDM1A O60341 7/20 0.38
CHRM5 P08912 1/20 0.38
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
CCR6 P51684 3/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
MGLL Q99685 1/20 0.36
GHSR Q92847 1/20 0.35
CYP3A4 P08684 1/20 0.35
DPP4 P27487 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
SCHEMBL641101 1.00 HCRTR1 (0.41) HCRTR1HCRTR2KDM1ACHRM5MMP1
SCHEMBL640384 1.00 HCRTR1 (0.41) HCRTR1HCRTR2KDM1ACHRM5MMP1
SCHEMBL639699 0.96 HCRTR1 (0.39) HCRTR1HCRTR2KDM1ACHRM5MMP1
SCHEMBL639700 0.96 HCRTR1 (0.39) HCRTR1HCRTR2KDM1ACHRM5MMP1
SCHEMBL639854 0.96 HCRTR1 (0.39) HCRTR1HCRTR2KDM1ACHRM5MMP1
SCHEMBL641893 0.91 HCRTR1 (0.40) HCRTR1HCRTR2KDM1ACHRM5CCR6
SCHEMBL639644 0.89 MEN1 (0.40) HCRTR1HCRTR2CHRM5MMP1MMP9
SCHEMBL640782 0.89 MEN1 (0.40) HCRTR1HCRTR2CHRM5MMP1MMP9
SCHEMBL639944 0.89 MEN1 (0.40) HCRTR1HCRTR2CHRM5MMP1MMP9
SCHEMBL641394 0.88 HCRTR1 (0.39) HCRTR1HCRTR2CHRM5MMP1MMP9

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 HCRTR1 951/4885HCRTR2 641/4885KDM1A 3023/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A HCRTR1 951/4885HCRTR2 641/4885KDM1A 3023/4885

“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.