SCHEMBL3540423

SCHEMBL3540423

O=C(NC(=S)Nc1ccsc1C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.57
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL4496604 0.87 L3MBTL1 (0.76) EPHX1NPC1RAB9AMEN1KMT2A
SCHEMBL16714080 0.85 KMT2A (0.74) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL11932743 0.83 EPHX1 (0.65) EPHX1NPC1RAB9AMEN1KMT2A
SCHEMBL11163223 0.82 EPHX1 (0.56) EPHX1NPC1RAB9AMEN1KMT2A
SCHEMBL6118209 0.80 EPHX1 (0.78) EPHX1NPC1RAB9AMEN1KMT2A
SCHEMBL4515370 0.77 KMT2A (0.71) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13348937 0.75 MAPT (0.56) EPHX1NPC1RAB9AMEN1KMT2A
SCHEMBL14096340 0.74 NPC1 (0.73) EPHX1NPC1RAB9AMEN1KMT2A
SCHEMBL8613625 0.74 EPHX1 (0.76) EPHX1NPC1RAB9AMEN1KMT2A
SCHEMBL31741297 0.74 NPC1 (0.71) EPHX1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150045375-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2015-02-12 US disclosed
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS HICKEY DEIDRE MARY BERNADETTE 2010-06-10 US disclosed
US-7652019-B2 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an antioxidant probucol; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM PLC (GB) 2010-01-26 US disclosed
US-7638520-B2 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2009-12-29 US disclosed
EP-1686119-B1 Pyrimidine-5-one derivatives as LDL-PLA2 inhibitors SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
US-20090170877-A1 5,6-Trimethylenepyrimidin-4-one compounds SMITHKLINE BEECHAM P.L.C. 2009-07-02 US disclosed
US-20090118313-A1 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an antioxidant probucol; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM P.L.C. 2009-05-07 US disclosed
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis SMITHKLINE BEECHAM PLC 2007-05-31 US disclosed
EP-1263740-B1 PYRIMIDINE-4-ONE DERIVATIVE AS LDL-PLA2 INHIBITOR SMITHKLINE BEECHAM PLC (GB) 2006-07-19 EP disclosed
EP-1502916-A1 PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-02 EP disclosed
US-20040097525-A1 For therapy of atheroscelerosis SMITHKLINE BEECHAM PLC 2004-05-20 US disclosed
US-6649619-B1 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl) benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimeth ylenepyrimidin-4-one or salt; lipoprotein-associated phospholipase A inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-11-18 US disclosed
US-20020103213-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis SMITHKLINE BEECHAM P.L.C. (GB) 2002-08-01 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 (7 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-20090170877-A1 5,6-Trimethylenepyrimidin-4-one compounds PLA2G4A, PLA2G4B, PLA2G1B EPHX1 221/4885NPC1 847/4885RAB9A 3808/4885
US-20090118313-A1 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an antioxidant probucol; inhibitor of platlet activating factor acetylhydrolase PLAT, PLA2G7, LYPLAL1 EPHX1 258/4885NPC1 597/4885RAB9A 3920/4885
US-20150045375-A1 NOVEL COMPOUNDS PLA2G7, ALOX15B, PLA2G1B EPHX1 110/4885NPC1 740/4885RAB9A 3484/4885
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis PLA2G7, PLAT, PLA2G1B EPHX1 141/4885NPC1 1940/4885RAB9A 2823/4885
US-20040097525-A1 For therapy of atheroscelerosis LYPLA2, LOXL2, LYPLA1 EPHX1 234/4885NPC1 1333/4885RAB9A 4058/4885
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS PLA2G4A, PLA2G4B, PLA2G1B EPHX1 221/4885NPC1 847/4885RAB9A 3808/4885
US-20020103213-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis LYPLAL1, ENPP2, LYPLA2 EPHX1 210/4885NPC1 1742/4885RAB9A 3564/4885

“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.