SCHEMBL9904872

SCHEMBL9904872

O=c1nc(OCCc2ccc(Oc3ccc(F)c(F)c3)c(F)c2)c(F)c[nH]1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.34
IL6 P05231 6/20 0.34
TLR7 Q9NYK1 6/20 0.34
DAO P14920 3/20 0.33
P2RX3 P56373 2/20 0.33
PDPK1 O15530 1/20 0.33
MET P08581 1/20 0.32
EPAS1 Q99814 1/20 0.31
MAOB P27338 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL15261534 0.85 SCN10A (0.37) DAO
SCHEMBL9900951 0.80 PLA2G7 (0.41) TRPA1P2RX3MAOB
SCHEMBL9905081 0.80 MAOB (0.40) TRPA1MAOB
SCHEMBL15277244 0.78 MET (0.35) TRPA1METMAOBHTR2ASLC6A4
SCHEMBL9901634 0.78 POLB (0.41) TRPA1METHTR2ASLC6A4
SCHEMBL9904903 0.78 L3MBTL1 (0.39)
SCHEMBL9904884 0.78 HCAR2 (0.39) DAOMAOB
SCHEMBL15262584 0.78 LTA4H (0.43) DAOMAOB
SCHEMBL9904803 0.77 MMP13 (0.45) DAOMAOB
SCHEMBL15263042 0.76 SCN9A (0.39) TRPA1HTR2ASLC6A4

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 4 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
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
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 TRPA1 1530/4885IL6 2404/4885TLR7 2949/4885

“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.