SCHEMBL7012155

SCHEMBL7012155

O=c1[nH]c(=S)n(Cc2ccccn2)cc1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.44
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 8/20 0.40
AGTR1 P30556 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CNOT7 Q9UIV1 1/20 0.40
PKM P14618 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
PLA2G7 Q13093 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.37
HPGD P15428 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
SCHEMBL7008842 0.89 PLA2G7 (0.42) KDM4EALDH1A1AGTR1HSD17B10CNOT7
SCHEMBL7007953 0.84 UPP1 (0.51) UPP1ALDH1A1MEN1KMT2ASIRT2
SCHEMBL7012551 0.82 PLA2G7 (0.47) UPP1KDM4EALDH1A1HSD17B10SIRT2
SCHEMBL7009380 0.81 PKM (0.48) UPP1KDM4EALDH1A1HSD17B10CNOT7
SCHEMBL7006310 0.78 DAO (0.42) HSD17B10CNOT7PLA2G7
SCHEMBL7013431 0.77 PLA2G7 (0.54) UPP1ALDH1A1PLA2G7HPGD
SCHEMBL7005438 0.76 HSD17B10 (0.49) UPP1KDM4EALDH1A1HSD17B10PKM
SCHEMBL7013677 0.76 UPP1 (0.57) UPP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4739723 0.74 RAB9A (0.45) KDM4EALDH1A1AGTR1HSD17B10CNOT7
SCHEMBL7007222 0.73 UPP1 (0.55) UPP1ALDH1A1HPGD

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 79/4885KDM4E 3156/4885ALDH1A1 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.