SCHEMBL4414015

SCHEMBL4414015

OCCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
MCHR1 Q99705 1/20 0.48
S1PR1 P21453 2/20 0.47
SCN8A Q9UQD0 1/20 0.47
MAOB P27338 1/20 0.46
KIF11 P52732 3/20 0.46
CDK1 P06493 1/20 0.44
PPARA Q07869 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MTOR P42345 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42

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
SCHEMBL1846372 0.95 SMN1; SMN2 (0.50) SMN1; SMN2PDCD1CD274SCN8ACDK1
SCHEMBL14420391 0.83 HRH4 (0.56) S1PR1SCN8AMAOBKIF11HRH4
SCHEMBL16794563 0.83 MAOB (0.59) S1PR1SCN8AMAOBKIF11HRH4
SCHEMBL14021244 0.81 HRH4 (0.50) SMN1; SMN2S1PR1SCN8AMAOBKIF11
SCHEMBL4423057 0.80 SCN8A (0.51) S1PR1SCN8AMAOBKIF11HRH4
SCHEMBL1436108 0.79 PTPN1 (0.54) SCN8AMAOBMTORALDH1A1
SCHEMBL1625535 0.79 SMN1; SMN2 (0.64) SMN1; SMN2PDCD1CD274MCHR1HRH4
SCHEMBL5867379 0.79 SCN8A (0.47) S1PR1SCN8AMAOBKIF11HRH4
SCHEMBL4713071 0.79 SCN8A (0.53) S1PR1SCN8AMAOBKIF11PPARA
SCHEMBL3542893 0.79 SCN8A (0.47) SMN1; SMN2S1PR1SCN8AMAOBKIF11

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
EP-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 EP disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 US 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-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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B SMN1; SMN2 3552/4885PDCD1 3680/4885CD274 4190/4885

“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.