SCHEMBL640381

SCHEMBL640381

COc1ccc(S(=O)(=O)n2c(=O)n([C@H](C(=O)N3CCCC(NC(=O)OC(C)(C)C)C3)c3ccccc3)c3cc(C#N)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
KDM4D Q6B0I6 4/20 0.38
CCR6 P51684 3/20 0.38
DPP4 P27487 2/20 0.36
MMP1 P03956 3/20 0.36
MMP9 P14780 3/20 0.36
MMP13 P45452 3/20 0.36
RORC P51449 1/20 0.36
DRD2 P14416 1/20 0.35
TSHR P16473 1/20 0.35
USP30 Q70CQ3 1/20 0.35
CCR5 P51681 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 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
SCHEMBL640382 1.00 HCRTR1 (0.39) HCRTR1HCRTR2KDM4DCCR6DPP4
SCHEMBL640380 1.00 HCRTR1 (0.39) HCRTR1HCRTR2KDM4DCCR6DPP4
SCHEMBL641122 1.00 HCRTR1 (0.39) HCRTR1HCRTR2KDM4DCCR6DPP4
SCHEMBL641123 1.00 HCRTR1 (0.39) HCRTR1HCRTR2KDM4DCCR6DPP4
SCHEMBL639757 0.96 KDM4D (0.40) HCRTR1HCRTR2KDM4DCCR6RORC
SCHEMBL639755 0.96 KDM4D (0.40) HCRTR1HCRTR2KDM4DCCR6RORC
SCHEMBL639756 0.96 KDM4D (0.40) HCRTR1HCRTR2KDM4DCCR6RORC
SCHEMBL640260 0.92 KMT2A (0.41) HCRTR1HCRTR2KDM4DCCR6RORC
SCHEMBL641755 0.87 STS (0.40) HCRTR1HCRTR2CCR6MMP1MMP9
SCHEMBL641757 0.87 STS (0.40) HCRTR1HCRTR2CCR6MMP1MMP9

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 HCRTR1 951/4885HCRTR2 641/4885KDM4D 4165/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A HCRTR1 951/4885HCRTR2 641/4885KDM4D 4165/4885

“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.