SCHEMBL4424839

SCHEMBL4424839

O=C1c2ccccc2C(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.61
BCHE P06276 1/20 0.61
CES1 P23141 1/20 0.61
CASP3 P42574 2/20 0.59
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL18668950 0.94 CES2 (0.67) CES2BCHECES1CASP3ADRA1D
SCHEMBL11167209 0.93 CASP3 (0.67) CES1CASP3ADRA1DADRA1AADRA1B
SCHEMBL1691386 0.89 CASP3 (0.68) CES1CASP3ADRA1DADRA1AADRA1B
SCHEMBL13442862 0.88 CASP3 (0.77) CES2BCHECES1CASP3ADRA1D
SCHEMBL4424799 0.84 CASP3 (0.79) CASP3ADRA1DADRA1AADRA1BCA12
SCHEMBL6287318 0.84 RPS6KA2 (0.58) CASP3ADRA1DADRA1AADRA1BCA12
SCHEMBL326305 0.81 CASP3 (0.85) CES1CASP3ADRA1DADRA1AADRA1B
SCHEMBL30472950 0.81 CASP3 (0.85) CES1CASP3ADRA1DADRA1AADRA1B
SCHEMBL4415503 0.80 CHRM5 (0.65) CASP3ADRA1DADRA1AADRA1BCA12
SCHEMBL19835651 0.80 CASP3 (0.46) CES2BCHECES1CASP3ADRA1D

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 US disclosed
EP-1479671-A1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2004-11-24 EP disclosed
US-20040167142-A1 Pyrimidinone compounds SMITHKLINE BEECHAM P.L.C. 2004-08-26 US disclosed
EP-1175408-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-30 EP disclosed
WO-2000066567-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 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 (1 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-20040167142-A1 Pyrimidinone compounds LPL, LIPG, PCSK9 CES2 376/4885BCHE 1133/4885CES1 40/4885

“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.