SCHEMBL4418630

SCHEMBL4418630

Cc1ccc(-c2ccc(Cl)cc2)c[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 1/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KIF11 P52732 1/20 0.37
AHR P35869 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34
HSD11B1 P28845 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
LMNA P02545 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 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
SCHEMBL9716210 0.87 PTGS2 (0.41) PTGS2ALDH1A1L3MBTL1GPR84
SCHEMBL9455864 0.82
SCHEMBL8305012 0.81 L3MBTL1 (0.45) PTGS2ALDH1A1CYP1A2HTTL3MBTL1
SCHEMBL9424985 0.79 ACHE (0.37) PTGS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11007502 0.75 CYP1A2 (0.39) PTGS2ALDH1A1CYP1A2HTTMEN1
SCHEMBL4422528 0.70 PTGS2 (0.39) PTGS2L3MBTL1GPR84
SCHEMBL17142125 0.69 SLC6A3 (0.45) PTGS2ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL28215 0.68 CYP1A2 (0.73) ALDH1A1CYP1A2KIF11AHRPOLB
SCHEMBL3952742 0.68 CYP1A2 (0.73) ALDH1A1CYP1A2KIF11AHRPOLB
SCHEMBL11165087 0.68 CYP1A2 (0.73) ALDH1A1CYP1A2KIF11AHRPOLB

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 9 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
CN-1286822-C Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-11-29 CN 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
CN-1358175-A Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2002-07-10 CN 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 PTGS2 176/4885ALDH1A1 616/4885CYP1A2 571/4885

“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.