SCHEMBL641893

SCHEMBL641893

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCC(N)CC3)c3ccccc3)c3cc(C#N)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MGLL Q99685 5/20 0.40
CHRM5 P08912 1/20 0.38
CCR6 P51684 3/20 0.38
KDM1A O60341 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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
SCHEMBL639699 0.95 HCRTR1 (0.39) HCRTR1HCRTR2MGLLCHRM5CCR6
SCHEMBL639700 0.95 HCRTR1 (0.39) HCRTR1HCRTR2MGLLCHRM5CCR6
SCHEMBL639854 0.95 HCRTR1 (0.39) HCRTR1HCRTR2MGLLCHRM5CCR6
SCHEMBL640384 0.91 HCRTR1 (0.41) HCRTR1HCRTR2MGLLCHRM5CCR6
SCHEMBL641102 0.91 HCRTR1 (0.41) HCRTR1HCRTR2MGLLCHRM5CCR6
SCHEMBL641101 0.91 HCRTR1 (0.41) HCRTR1HCRTR2MGLLCHRM5CCR6
SCHEMBL641338 0.89 CCR6 (0.40) HCRTR1HCRTR2MGLLCHRM5CCR6
SCHEMBL639842 0.89 CCR6 (0.40) HCRTR1HCRTR2MGLLCHRM5CCR6
SCHEMBL640256 0.88 ALDH1A1 (0.40) HCRTR1HCRTR2MGLLCHRM5CCR6
SCHEMBL640260 0.87 KMT2A (0.41) HCRTR1HCRTR2MGLLCCR6MEN1

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 641/4885MGLL 3620/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A HCRTR1 951/4885HCRTR2 641/4885MGLL 3620/4885

“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.