SCHEMBL9105285

SCHEMBL9105285

[CH2]Cc1ccc(Oc2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.45
LOX P28300 2/20 0.45
SCN9A Q15858 2/20 0.40
FPR2 P25090 1/20 0.40
P2RX3 P56373 2/20 0.39
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39
BACE1 P56817 1/20 0.39
MGLL Q99685 1/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
NR2F2 P24468 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9105297 0.85 LOXL2 (0.45) LOXL2LOXSCN9AFPR2P2RX3
SCHEMBL9106650 0.82 LOXL2 (0.43) LOXL2LOXSCN9AFPR2P2RX3
SCHEMBL9303796 0.82 LOXL2 (0.49) LOXL2LOXSCN9AFPR2BACE1
SCHEMBL15871857 0.80 LOXL2 (0.55) LOXL2LOXSCN9AFPR2SCN7A
SCHEMBL11537806 0.80 GAA (0.55) LOXL2LOXSCN9AFPR2SCN7A
SCHEMBL171631 0.80 MEN1 (0.47) LOXL2LOXSCN9AFPR2P2RX3
SCHEMBL29371032 0.80 CYP1A2 (0.51) LOXL2LOXSCN9AFPR2P2RX3
SCHEMBL11537931 0.80 L3MBTL1 (0.55) LOXL2LOXSCN9AFPR2SCN7A
SCHEMBL9107466 0.79 SCN9A (0.40) LOXL2LOXSCN9AFPR2SCN7A
SCHEMBL21630328 0.77 HAO1 (0.45) LOXL2LOXSCN9AFPR2SCN7A

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
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
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-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 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
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP 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
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO 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 (4 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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 LOXL2 136/4885LOX 170/4885SCN9A 4224/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 LOXL2 136/4885LOX 170/4885SCN9A 4224/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B LOXL2 125/4885LOX 86/4885SCN9A 4695/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B LOXL2 116/4885LOX 84/4885SCN9A 4668/4885

“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.