SCHEMBL7007140

SCHEMBL7007140

O=c1[nH]c(=S)[nH]cc1CCc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.44
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PNP P00491 1/20 0.41
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KDM3B Q7LBC6 1/20 0.37
PLA2G7 Q13093 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
DAO P14920 5/20 0.35
ALDH1A1 P00352 1/20 0.34
ABCB1 P08183 1/20 0.34
GSK3B P49841 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
SCHEMBL7010634 0.86 PNP (0.51) HDAC8KMT2ATDP1PNPPLA2G7
SCHEMBL11458310 0.84 DAO (0.50) KMT2ATDP1PNPKDM3BDAO
SCHEMBL10622918 0.82 HRH4 (0.46) KMT2ATDP1PNPHRH4HRH3
SCHEMBL10979560 0.75 DAO (0.44) KMT2ATDP1KDM3BDAOALDH1A1
SCHEMBL11456064 0.75 DAO (0.44) KMT2ATDP1KDM3BDAOALDH1A1
SCHEMBL3537530 0.73 KMT2A (0.51) KMT2ATDP1KDM3BALDH1A1
SCHEMBL1691795 0.73 KMT2A (0.55) KMT2ATDP1KDM3BALDH1A1
SCHEMBL7007907 0.72 PNP (0.55) PNPHRH4HRH3PLA2G7DAO
SCHEMBL10983716 0.70 KMT2A (0.53) KMT2ATDP1KDM3BDAOALDH1A1
SCHEMBL4415229 0.70 PLA2G7 (0.43) KMT2ATDP1PNPKDM3BPLA2G7

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 HDAC8 3223/4885KMT2A 3285/4885TDP1 940/4885

“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.