SCHEMBL9904663

SCHEMBL9904663

Fc1cc(CCOc2nc(OCc3ccccc3)ncc2F)ccc1Oc1ccc(C(F)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
SCN9A Q15858 4/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP13 P45452 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
LTA4H P09960 1/20 0.33
EPHX2 P34913 1/20 0.33
CSF1R P07333 1/20 0.33
PLA2G7 Q13093 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
SCHEMBL15277246 0.88 PLA2G7 (0.37) SCN9AALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL9923434 0.86 SCN9A (0.39) SCN9AALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL9923431 0.83 PLAAT3 (0.38) PLAAT3PLAAT5PLAAT2PLAAT4MRGPRX4
SCHEMBL9901117 0.83 POLB (0.38) PLAAT3PLAAT5PLAAT2PLAAT4MRGPRX4
SCHEMBL9904811 0.82 LIPE (0.42) PLAAT3PLAAT5PLAAT2PLAAT4MRGPRX4
SCHEMBL9901038 0.79 ALDH1A1 (0.36) PLAAT3PLAAT5PLAAT2PLAAT4MRGPRX4
SCHEMBL9900964 0.78 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL15261534 0.78 SCN10A (0.37) PLAAT3PLAAT5PLAAT2PLAAT4MRGPRX4
SCHEMBL9900791 0.78 ALDH1A1 (0.41) MRGPRX4SCN9AALDH1A1CYP1A2CYP3A4
SCHEMBL9904669 0.77 CYP11B1 (0.43) ALDH1A1CYP1A2CYP3A4TSHRCYP2D6

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 PLAAT3 58/4885PLAAT5 37/4885PLAAT2 8/4885

“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.