SCHEMBL9900548

SCHEMBL9900548

Cc1cnc(Cl)nc1OCc1ccc(Oc2ccc(F)c(F)c2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
PLA2G7 Q13093 2/20 0.38
CNR1 P21554 7/20 0.38
AXL P30530 1/20 0.38
RXRA P19793 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
PIN1 Q13526 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CNR2 P34972 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL9901003 0.89 PLA2G7 (0.41) MAOAMAOBPLA2G7CNR1ALDH1A1
SCHEMBL15262648 0.88 CNR1 (0.45) PLA2G7CNR1ALDH1A1PIN1CNR2
SCHEMBL9901634 0.79 POLB (0.41) PLA2G7ALDH1A1GAAPOLBCASP6
SCHEMBL9905081 0.79 MAOB (0.40) MAOAMAOBPLA2G7ACHE
SCHEMBL15277240 0.78 CNR1 (0.40) MAOAMAOBPLA2G7CNR1HDAC1
SCHEMBL9901043 0.77 KDM4E (0.37) AXLRXRAGRIN1GRIN2BALDH1A1
SCHEMBL9900951 0.74 PLA2G7 (0.41) MAOAMAOBPLA2G7CNR1ACHE
SCHEMBL9987222 0.73 CNR1 (0.44) MAOBCNR1RXRAGRIN1GRIN2B
SCHEMBL9904709 0.73 CSF1R (0.39) PLA2G7GRIN1GRIN2B
SCHEMBL12813335 0.72 AXL (0.52) AXLALDH1A1GAAPOLBCASP6

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 8 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

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 MAOA 765/4885MAOB 1005/4885PLA2G7 6/4885

“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.