SCHEMBL640779

SCHEMBL640779

CC(C)(C)OC(=O)C(c1ccccc1)n1c(=O)n(C(=O)O)c2ccc(C#N)cc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 14/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
NR1H2 P55055 1/20 0.36
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 1/20 0.34
CMA1 P23946 1/20 0.34
PLA2G4A P47712 1/20 0.34
LTB4R Q15722 1/20 0.34
ESR1 P03372 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL640679 0.93 NR1H2 (0.41) ABCB1CTSSCTSKNR1H2PRSS1
SCHEMBL641508 0.84 GABRG2 (0.35)
SCHEMBL639895 0.77 GABRG2 (0.41) NR1H2
SCHEMBL642618 0.77 LMNA (0.41) NR1H2PLA2G4A
SCHEMBL640789 0.74 NR1H2 (0.38) ABCB1NR1H2ESR1
SCHEMBL639642 0.74 MEN1 (0.46)
SCHEMBL640780 0.71 MEN1 (0.37) ABCB1NR1H2
SCHEMBL640579 0.70 MMP8 (0.36)
SCHEMBL641167 0.70 L3MBTL1 (0.48)
SCHEMBL640561 0.67 LMNA (0.42) NR1H2

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 ABCB1 1495/4885CTSS 1147/4885CTSK 431/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A ABCB1 1495/4885CTSS 1147/4885CTSK 431/4885

“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.