SCHEMBL7004571

SCHEMBL7004571

O=c1nc(SCc2ccccc2)[nH]cc1Cc1nccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
PLA2G7 Q13093 6/20 0.41
XDH P47989 1/20 0.39
MAOB P27338 1/20 0.38
DAO P14920 2/20 0.38
PKM P14618 2/20 0.38
SCN9A Q15858 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
TP53 P04637 1/20 0.38
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
HIF1AN Q9NWT6 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL7007073 0.83 PLA2G7 (0.49) SMN1; SMN2PLA2G7XDHMAOBDAO
SCHEMBL7004574 0.78 PLA2G7 (0.67) SMN1; SMN2PLA2G7DAOKDM6BKDM4A
SCHEMBL7011031 0.77 PLA2G7 (0.50) PLA2G7XDHMAOBDAOGFER
SCHEMBL4423255 0.76 CTSB (0.54) SMN1; SMN2PLA2G7XDHMAOBMAPT
SCHEMBL4416264 0.72 PLA2G7 (0.50) PLA2G7
SCHEMBL7009415 0.70 PLA2G7 (0.50) PLA2G7PKM
SCHEMBL10048197 0.68 ADORA2A (0.50) SMN1; SMN2PLA2G7TSHRL3MBTL1ALDH1A1
SCHEMBL378027 0.68 PDPK1 (0.50) SMN1; SMN2MAOBL3MBTL1ALDH1A1
SCHEMBL7617248 0.66 PDPK1 (0.48) SMN1; SMN2MAOBL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL3930720 0.66 PDPK1 (0.48) SMN1; SMN2MAOBL3MBTL1ALDH1A1

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 4 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 claimed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US claimed
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

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 SMN1; SMN2 3041/4885PLA2G7 1/4885XDH 232/4885

“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.