SCHEMBL640960

SCHEMBL640960

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)N3CCC(NC4CCN(C)CC4)C3)c3ccccc3)c3cc(C#N)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 5/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MGLL Q99685 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM5 P08912 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 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
SCHEMBL640145 1.00 CCR6 (0.39) CCR6HCRTR1HCRTR2MGLLMEN1
SCHEMBL643070 0.97 CCR6 (0.40) CCR6HCRTR1HCRTR2MGLLMEN1
SCHEMBL643292 0.97 CCR6 (0.40) CCR6HCRTR1HCRTR2MGLLMEN1
SCHEMBL643069 0.97 CCR6 (0.40) CCR6HCRTR1HCRTR2MGLLMEN1
SCHEMBL641338 0.97 CCR6 (0.40) CCR6HCRTR1HCRTR2MGLLMEN1
SCHEMBL640289 0.96 CCR6 (0.39) CCR6HCRTR1HCRTR2MGLLMEN1
SCHEMBL10008094 0.96 CCR6 (0.39) CCR6HCRTR1HCRTR2MGLLMEN1
SCHEMBL639624 0.94 CCR6 (0.38) CCR6HCRTR1HCRTR2MGLLMEN1
SCHEMBL641450 0.94 CCR6 (0.38) CCR6HCRTR1HCRTR2MGLLMEN1
SCHEMBL639625 0.94 CCR6 (0.38) CCR6HCRTR1HCRTR2MGLLMEN1

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.