SCHEMBL9109715

SCHEMBL9109715

CCc1ccc(Oc2c(F)cc(Cl)cc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPBWR1 P48145 5/20 0.40
MCHR1 Q99705 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL11990097 0.86 HTR2A (0.40) SMN1; SMN2NPBWR1MAOAMAOBMAPT
SCHEMBL9109709 0.83 SOS1 (0.33) NPBWR1MAOAMAOBMAPTALDH1A1
SCHEMBL9107499 0.80 PDE4B (0.40) TDP1MAOBMAPTALDH1A1GAA
SCHEMBL12967227 0.80 SLC6A4 (0.47) SMN1; SMN2MAPTALDH1A1CYP2C19HTR2A
SCHEMBL13922732 0.79 LMNA (0.40) L3MBTL1TDP1MAOBMAPTLMNA
SCHEMBL16316407 0.78 CARM1 (0.49) SMN1; SMN2NPBWR1MCHR1NPC1RAB9A
SCHEMBL12967364 0.77 SOS1 (0.50) SMN1; SMN2MCHR1NPC1RAB9AL3MBTL1
SCHEMBL12967229 0.76 SLC6A4 (0.47) SMN1; SMN2NPBWR1MCHR1NPC1RAB9A
SCHEMBL11990100 0.76 MAPT (0.37) SMN1; SMN2NPC1RAB9AL3MBTL1MAOA
SCHEMBL2056280 0.75 MAOB (0.52) SMN1; SMN2NPC1RAB9AL3MBTL1TDP1

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 SMN1; SMN2 3782/4885NPBWR1 1957/4885MCHR1 3825/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 SMN1; SMN2 3782/4885NPBWR1 1957/4885MCHR1 3825/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B SMN1; SMN2 2828/4885NPBWR1 1645/4885MCHR1 3366/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B SMN1; SMN2 2782/4885NPBWR1 1676/4885MCHR1 3379/4885

“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.