SCHEMBL641236

SCHEMBL641236

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCC[C@H](N4CCNCC4)C3)c3ccccc3)c3cc(C#N)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
CHRM5 P08912 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
CCR6 P51684 2/20 0.35
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34
TSHR P16473 1/20 0.34
MGLL Q99685 1/20 0.34
GAA P10253 1/20 0.34
AKR1C3 P42330 1/20 0.34
MCHR1 Q99705 1/20 0.33

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
SCHEMBL10007061 1.00 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1KDM4ECHRM5
SCHEMBL641394 1.00 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1KDM4ECHRM5
SCHEMBL640449 0.96 HCRTR1 (0.37) HCRTR1HCRTR2ALDH1A1KDM4ECHRM5
SCHEMBL640234 0.96 HCRTR1 (0.37) HCRTR1HCRTR2ALDH1A1KDM4ECHRM5
SCHEMBL640233 0.96 HCRTR1 (0.37) HCRTR1HCRTR2ALDH1A1KDM4ECHRM5
SCHEMBL10009647 0.93 ALDH1A1 (0.40) HCRTR1HCRTR2ALDH1A1KDM4ECHRM5
SCHEMBL641886 0.93 ALDH1A1 (0.40) HCRTR1HCRTR2ALDH1A1KDM4ECHRM5
SCHEMBL640235 0.93 ALDH1A1 (0.40) HCRTR1HCRTR2ALDH1A1KDM4ECHRM5
SCHEMBL642415 0.92 ALDH1A1 (0.40) HCRTR1HCRTR2ALDH1A1KDM4ECHRM5
SCHEMBL642414 0.92 ALDH1A1 (0.40) HCRTR1HCRTR2ALDH1A1KDM4ECHRM5

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 641/4885ALDH1A1 586/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A HCRTR1 951/4885HCRTR2 641/4885ALDH1A1 586/4885

“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.