SCHEMBL7007953

SCHEMBL7007953

O=c1[nH]c(=S)n(Cc2ccccc2)cc1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.51
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.44
DBH P09172 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
DAO P14920 2/20 0.42
TYMP P19971 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL7012551 0.92 PLA2G7 (0.47) UPP1HPGDALDH1A1DBHSIRT2
SCHEMBL7013431 0.88 PLA2G7 (0.54) UPP1HPGDALDH1A1DBH
SCHEMBL7009380 0.87 PKM (0.48) UPP1ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7005438 0.84 HSD17B10 (0.49) UPP1HPGDALDH1A1KMT2AMEN1
SCHEMBL7012155 0.84 UPP1 (0.44) UPP1HPGDALDH1A1SIRT2SIRT1
SCHEMBL7013677 0.84 UPP1 (0.57) UPP1HPGDALDH1A1DAOPDE3B
SCHEMBL7094927 0.84 PLA2G7 (0.48) UPP1HPGDALDH1A1DBHSIRT2
SCHEMBL7007222 0.82 UPP1 (0.55) UPP1HPGDALDH1A1DAOPDE3B
SCHEMBL7007836 0.80 PDE3B (0.49) UPP1HPGDALDH1A1SIRT2SIRT1
SCHEMBL7013517 0.78 PKM (0.45) HPGDALDH1A1KMT2AMEN1CYP2C9

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 UPP1 79/4885HPGD 244/4885ALDH1A1 960/4885

“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.