SCHEMBL9904803

SCHEMBL9904803

COc1ccc(CCOc2nc(=O)[nH]cc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.45
MMP10 P09238 3/20 0.43
MMP8 P22894 3/20 0.43
DAO P14920 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
FABP4 P15090 1/20 0.39
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAOB P27338 1/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
LMNA P02545 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL9904884 0.88 HCAR2 (0.39) MMP13DAOTAAR1HCAR2MAOB
SCHEMBL15262584 0.85 LTA4H (0.43) DAOMAOB
SCHEMBL9904872 0.77 TRPA1 (0.34) DAOMAOB
SCHEMBL9900751 0.77 P2RX3 (0.35) FABP4
SCHEMBL9901204 0.74 POLB (0.45) MMP13TAAR1ALDH1A1GAAMAOB
SCHEMBL15277247 0.74 CALM1 (0.42) MMP13MMP10MMP8TAAR1ALDH1A1
SCHEMBL9905003 0.73 PLA2G7 (0.42) MAOB
SCHEMBL15277253 0.69 GPR84 (0.42)
SCHEMBL9901124 0.68 ABCB1 (0.46) ALDH1A1LMNA
SCHEMBL257826 0.66 TAAR1 (0.49) TAAR1MAOB

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 MMP13 224/4885MMP10 254/4885MMP8 252/4885

“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.