SCHEMBL9900916

SCHEMBL9900916

Fc1cnc(Cl)nc1OCCc1ccc(Oc2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
CASP6 P55212 1/20 0.41
PIN1 Q13526 1/20 0.39
BACE1 P56817 1/20 0.35
LOX P28300 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
P2RX3 P56373 4/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
PLA2G7 Q13093 2/20 0.34
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
PLAAT3 P53816 1/20 0.33
PLAAT5 Q96KN8 1/20 0.33
PLAAT2 Q9NWW9 1/20 0.33
PLAAT4 Q9UL19 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL15277252 0.88 BACE1 (0.35) POLBBACE1LOXLOXL2P2RX3
SCHEMBL15262296 0.85 POLB (0.43) POLBCASP6PIN1P2RX3PLAAT3
SCHEMBL9901038 0.83 ALDH1A1 (0.36) BACE1LOXLOXL2ALOX5APFEN1
SCHEMBL9900949 0.82 THRB (0.44) POLBCASP6SCN9APLAAT3PLAAT5
SCHEMBL9900905 0.81 PIN1 (0.51) POLBCASP6PIN1
SCHEMBL9900751 0.80 P2RX3 (0.35) POLBBACE1LOXLOXL2P2RX3
SCHEMBL9901818 0.79 POLB (0.43) POLBCASP6PIN1
SCHEMBL9901720 0.78 PIN1 (0.44) POLBCASP6PIN1
SCHEMBL9905581 0.78 PLA2G7 (0.52) POLBCASP6PIN1PLA2G7
SCHEMBL9923518 0.77 P2RX3 (0.38) POLBBACE1LOXLOXL2P2RX3

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 9 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
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
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
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US 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
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 POLB 2258/4885CASP6 1331/4885PIN1 1366/4885

“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.