SCHEMBL7009925

SCHEMBL7009925

C=C(CCCCCCCBr)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.47
MAOB P27338 4/20 0.47
PTPN1 P18031 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTR7 P34969 1/20 0.38
GAA P10253 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL23891539 0.83 GAA (0.54) MAOAMAOBHTR7GAAHDAC1
SCHEMBL7026115 0.80 L3MBTL1 (0.47) MAOAMAOBPTPN1HDAC1HDAC8
SCHEMBL7031321 0.80 L3MBTL1 (0.47) MAOAMAOBPTPN1HDAC1HDAC8
SCHEMBL3031005 0.80 L3MBTL1 (0.47) MAOAMAOBPTPN1HDAC1HDAC8
SCHEMBL3320622 0.80 L3MBTL1 (0.47) MAOAMAOBPTPN1HDAC1HDAC8
SCHEMBL2015788 0.78 HTR7 (0.61) MAOAMAOBNPC1RAB9AHTR7
SCHEMBL1507323 0.78 MAOA (0.45) MAOAMAOBPTPN1HDAC1HDAC8
SCHEMBL2175225 0.77 PTPN1 (0.56) MAOAMAOBPTPN1NPC1RAB9A
SCHEMBL7392018 0.77 NPC1 (0.74) PTPN1NPC1RAB9AHTR7HDAC1
SCHEMBL7005013 0.77 NPC1 (0.74) PTPN1NPC1RAB9AHTR7HDAC1

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 MAOA 727/4885MAOB 486/4885PTPN1 2386/4885

“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.