SCHEMBL7005013

SCHEMBL7005013

O=C(CCCCCCCBr)c1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.74
RAB9A P51151 1/20 0.74
HTR7 P34969 1/20 0.65
PTPN1 P18031 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC1 Q13547 1/20 0.50
TSHR P16473 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HSD17B3 P37058 5/20 0.49

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
SCHEMBL7392018 1.00 NPC1 (0.74) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL7417034 0.98 NPC1 (0.77) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL11282894 0.94 NPC1 (0.77) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL1040636 0.92 NPC1 (0.87) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL3424496 0.92 NPC1 (0.87) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL9680984 0.92 NPC1 (0.87) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL7365742 0.90 NPC1 (0.61) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL7370268 0.90 NPC1 (0.61) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL9680520 0.90 NPC1 (0.91) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL9990825 0.88 PTPN1 (0.72) NPC1RAB9AHTR7PTPN1HTT

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 NPC1 941/4885RAB9A 2987/4885HTR7 1875/4885

“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.