SCHEMBL7010983

SCHEMBL7010983

CCCCCC(NC(=O)CBr)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.46
ASAH1 Q13510 1/20 0.45
SLC6A9 P48067 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 1/20 0.39
HTR7 P34969 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ICMT O60725 1/20 0.38
ALB P02768 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TACR3 P29371 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL8595137 0.86 UTS2R (0.46) ASAH1HPGDALDH1A1KDM4ECYP2D6
SCHEMBL2339306 0.76 ALDH1A1 (0.50) FAAHSLC6A9GAAALDH1A1HTT
SCHEMBL2335078 0.76 ALDH1A1 (0.50) FAAHSLC6A9GAAALDH1A1HTT
SCHEMBL27277365 0.74 FAAH (0.42) FAAHGAAHPGDALDH1A1HTR7
SCHEMBL27083412 0.74 SLC2A1 (0.43) FAAHGAAHTR7MMP1MMP3
SCHEMBL5465120 0.72 FAAH (0.43) FAAHHPGDALDH1A1
SCHEMBL14701529 0.71 SLC6A9 (0.58) FAAHSLC6A9ALDH1A1HTTCNR2
SCHEMBL8102586 0.70 AOC3 (0.50) GAAHTR7KDM4E
SCHEMBL31037004 0.70 SLC6A9 (0.47) FAAHSLC6A9ALDH1A1HTTCNR2
SCHEMBL29009923 0.70 LMNA (0.46) FAAHGAAHTR7MMP9

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-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 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 FAAH 1458/4885ASAH1 99/4885SLC6A9 4467/4885

“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.