SCHEMBL9889488

SCHEMBL9889488

COC(=O)c1ccc(Oc2ccc(C)cn2)c(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 9/20 0.44
P2RY14 Q15391 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
XDH P47989 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SCN9A Q15858 1/20 0.40
USP2 O75604 1/20 0.40
S1PR1 P21453 3/20 0.39

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
SCHEMBL875018 0.84 LMNA (0.63) HPGDLMNAMAPTHTTSMN1; SMN2
SCHEMBL13665137 0.78 RAB9A (0.49) ALDH1A1HPGDLMNAMAPTHTT
SCHEMBL8148281 0.77 CA1 (0.52) ALDH1A1HPGDLMNATDP1MAPT
SCHEMBL9889489 0.77 XDH (0.42) SLC22A12XDHSCN9AS1PR1
SCHEMBL105391 0.76 ALDH1A1 (0.59) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL25315154 0.75 ALDH1A1 (0.56) ALDH1A1HPGDTDP1MAPTHTT
SCHEMBL4720152 0.75 ALDH1A1 (0.64) ALDH1A1HPGDMAPTXDHNPC1
SCHEMBL9889490 0.74 SLC22A12 (0.41) SLC22A12XDHSCN9A
SCHEMBL5874030 0.74 ALDH1A1 (0.56) S1PR3ALDH1A1HPGDLMNAMAPT
SCHEMBL8179683 0.74 ALDH1A1 (0.61) ALDH1A1SLC22A12MAPTSMN1; SMN2KDM4E

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
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 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 (3 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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 S1PR3 291/4885P2RY14 1148/4885ALDH1A1 3079/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B S1PR3 235/4885P2RY14 491/4885ALDH1A1 1976/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B S1PR3 233/4885P2RY14 468/4885ALDH1A1 2042/4885

“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.