SCHEMBL9905008

SCHEMBL9905008

O=c1nc(OCCc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c(F)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
LIPE Q05469 6/20 0.42
THRB P10828 1/20 0.42
RAB9A P51151 1/20 0.41
BCHE P06276 1/20 0.39
SCN9A Q15858 6/20 0.39
MAPK1 P28482 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39

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
SCHEMBL15261676 0.89 PLAAT3 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4MAPT
SCHEMBL9904903 0.87 L3MBTL1 (0.39) PLAAT3PLAAT5PLAAT2PLAAT4MAPT
SCHEMBL15262554 0.86 DAO (0.42)
SCHEMBL15262612 0.83 PLA2G7 (0.36) THRBSCN9A
SCHEMBL9900751 0.82 P2RX3 (0.35) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL15261625 0.81 PLA2G7 (0.46)
SCHEMBL9900949 0.81 THRB (0.44) PLAAT3PLAAT5PLAAT2PLAAT4MAPT
SCHEMBL15277243 0.81 LIPE (0.46) PLAAT3PLAAT5PLAAT2PLAAT4MAPT
SCHEMBL15262085 0.80 DAO (0.41) RAB9ASCN9AMAPK1
SCHEMBL15262584 0.80 LTA4H (0.43)

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 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.