SCHEMBL9900751

SCHEMBL9900751

O=c1nc(OCCc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)c(F)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.35
SCN9A Q15858 2/20 0.34
SCN7A Q01118 1/20 0.34
KCNH2 Q12809 1/20 0.34
BACE1 P56817 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CHRM5 P08912 2/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
LOX P28300 1/20 0.33
FPR2 P25090 1/20 0.33
FABP4 P15090 1/20 0.33
OPRM1 P35372 1/20 0.32
MGLL Q99685 1/20 0.32
PLAAT3 P53816 1/20 0.32
PLAAT5 Q96KN8 1/20 0.32
PLAAT2 Q9NWW9 1/20 0.32
PLAAT4 Q9UL19 1/20 0.32
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
ALOX5AP P20292 2/20 0.31

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
SCHEMBL9904942 0.86 FFAR1 (0.38) P2RX3OPRM1
SCHEMBL9905008 0.82 PLAAT3 (0.44) SCN9APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL15262584 0.82 LTA4H (0.43)
SCHEMBL9923518 0.80 P2RX3 (0.38) P2RX3SCN9ASCN7AKCNH2BACE1
SCHEMBL9900916 0.80 POLB (0.41) P2RX3SCN9ABACE1CHRM5LOXL2
SCHEMBL15277252 0.80 BACE1 (0.35) P2RX3SCN9ASCN7AKCNH2BACE1
SCHEMBL15262085 0.80 DAO (0.41) SCN9AKCNH2POLB
SCHEMBL15262554 0.79 DAO (0.42)
SCHEMBL9904884 0.78 HCAR2 (0.39)
SCHEMBL9900883 0.77 PLA2G7 (0.53)

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
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
EP-2649050-A1 COMPOUNDS Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 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-20130252986-A1 COMPOUNDS LIPG, ENPP2, PLA2G1B P2RX3 1378/4885SCN9A 4206/4885SCN7A 4407/4885

“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.