SCHEMBL7010104

SCHEMBL7010104

O=c1[nH]c(=S)n(CCOc2ccccc2)cc1Cc1cncnc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 7/20 0.44
LTA4H P09960 4/20 0.40
UPP1 Q16831 1/20 0.40
CNOT7 Q9UIV1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7010539 0.84 PLA2G7 (0.55) PLA2G7UPP1
SCHEMBL7009612 0.83 PLA2G7 (0.50) PLA2G7UPP1ALDH1A1
SCHEMBL7004030 0.82 PLA2G7 (0.57) PLA2G7LMNA
SCHEMBL7013431 0.82 PLA2G7 (0.54) PLA2G7UPP1ALDH1A1
SCHEMBL7004473 0.80 PLA2G7 (0.53) PLA2G7
SCHEMBL7011469 0.80 PLA2G7 (0.48) PLA2G7UPP1
SCHEMBL7006310 0.80 DAO (0.42) PLA2G7CNOT7
SCHEMBL7005535 0.79 UPP1 (0.38) PLA2G7UPP1
SCHEMBL7008518 0.79 PLA2G7 (0.44) PLA2G7UPP1ALDH1A1
SCHEMBL7006888 0.78 PLA2G7 (0.42) PLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US disclosed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP disclosed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 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-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them PLA2G7, PLA2G1B, PLA2G4C PLA2G7 1/4885LTA4H 31/4885UPP1 79/4885

“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.