SCHEMBL641479

SCHEMBL641479

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCC(Nc4ccncc4)C3)c3ccccc3)c3cc(C#N)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 5/20 0.44
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MGLL Q99685 2/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
CHRM5 P08912 1/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL641478 1.00 CCR6 (0.44) CCR6HCRTR1HCRTR2MGLLPRKAB2
SCHEMBL639965 0.93 CCR6 (0.41) CCR6HCRTR1HCRTR2MGLLPRKAB2
SCHEMBL639964 0.93 CCR6 (0.41) CCR6HCRTR1HCRTR2MGLLPRKAB2
SCHEMBL640960 0.87 CCR6 (0.39) CCR6HCRTR1HCRTR2MGLLALDH1A1
SCHEMBL10008094 0.87 CCR6 (0.39) CCR6HCRTR1HCRTR2MGLLPRKAB2
SCHEMBL640145 0.87 CCR6 (0.39) CCR6HCRTR1HCRTR2MGLLALDH1A1
SCHEMBL640289 0.87 CCR6 (0.39) CCR6HCRTR1HCRTR2MGLLPRKAB2
SCHEMBL639624 0.87 CCR6 (0.38) CCR6HCRTR1HCRTR2MGLLPRKAB2
SCHEMBL639625 0.87 CCR6 (0.38) CCR6HCRTR1HCRTR2MGLLPRKAB2
SCHEMBL641450 0.87 CCR6 (0.38) CCR6HCRTR1HCRTR2MGLLPRKAB2

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 4 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

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 CCR6 4653/4885HCRTR1 951/4885HCRTR2 641/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CCR6 4653/4885HCRTR1 951/4885HCRTR2 641/4885

“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.