SCHEMBL9901117

SCHEMBL9901117

Fc1cc(CCOc2nc(Cl)ncc2F)ccc1Oc1ccc(C(F)(F)F)nc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
PIN1 Q13526 2/20 0.35
SCN9A Q15858 6/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
PLA2G7 Q13093 2/20 0.34
SCN8A Q9UQD0 1/20 0.34
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL9923431 0.88 PLAAT3 (0.38) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL9901634 0.84 POLB (0.41) POLBCASP6ALDH1A1GAAPIN1
SCHEMBL9904663 0.83 PLAAT3 (0.40) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL15261534 0.82 SCN10A (0.37) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL15262573 0.80 L3MBTL1 (0.46) POLBALDH1A1GAAPLAAT3PLAAT5
SCHEMBL9904818 0.79 SCN9A (0.38) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL876505 0.78 PLAAT3 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL30997480 0.76 MRGPRX4 (0.39) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL29265112 0.76 MRGPRX4 (0.39) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL875444 0.76 MRGPRX4 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A

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 POLB 2258/4885CASP6 1331/4885ALDH1A1 3180/4885

“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.