SCHEMBL640260

SCHEMBL640260

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CCR6 P51684 3/20 0.38
DRD2 P14416 1/20 0.38
KDM4D Q6B0I6 3/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CCR5 P51681 1/20 0.38
KCNA3 P22001 1/20 0.37
PKM P14618 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
P2RX7 Q99572 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36

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
SCHEMBL639757 0.96 KDM4D (0.40) KMT2AMEN1CCR6DRD2KDM4D
SCHEMBL639755 0.96 KDM4D (0.40) KMT2AMEN1CCR6DRD2KDM4D
SCHEMBL639756 0.96 KDM4D (0.40) KMT2AMEN1CCR6DRD2KDM4D
SCHEMBL640382 0.92 HCRTR1 (0.39) CCR6DRD2KDM4DHCRTR1HCRTR2
SCHEMBL640381 0.92 HCRTR1 (0.39) CCR6DRD2KDM4DHCRTR1HCRTR2
SCHEMBL641122 0.92 HCRTR1 (0.39) CCR6DRD2KDM4DHCRTR1HCRTR2
SCHEMBL641123 0.92 HCRTR1 (0.39) CCR6DRD2KDM4DHCRTR1HCRTR2
SCHEMBL640380 0.92 HCRTR1 (0.39) CCR6DRD2KDM4DHCRTR1HCRTR2
SCHEMBL639967 0.91 STS (0.41) KMT2AMEN1CCR6HCRTR1HCRTR2
SCHEMBL641755 0.88 STS (0.40) CCR6HCRTR1HCRTR2P2RX7MGLL

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 KMT2A 4356/4885MEN1 43/4885CCR6 4653/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A KMT2A 4356/4885MEN1 43/4885CCR6 4653/4885

“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.