SCHEMBL4485182

SCHEMBL4485182

Cc1cc(=O)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(C)o1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
NPSR1 Q6W5P4 1/20 0.40
PTGER4 P35408 1/20 0.39
SCN10A Q9Y5Y9 3/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
NOTUM Q6P988 1/20 0.39
SCN5A Q14524 2/20 0.38
CHRM5 P08912 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAT2A P31153 1/20 0.36
PPARD Q03181 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
CYP1A2 P05177 1/20 0.36
TP53 P04637 1/20 0.36
PSD A5PKW4 1/20 0.36

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
SCHEMBL4477921 0.86 DGAT1 (0.42) PTGER4
SCHEMBL13761581 0.84 PTGS2 (0.48) PTGS2NPSR1CA12CA9NOTUM
SCHEMBL4477798 0.83 PTGER4 (0.42) PTGS2NPSR1PTGER4SCN10ACA12
SCHEMBL9266183 0.83 PTGS2 (0.55) PTGS2NPSR1PTGER4SCN10ANOTUM
SCHEMBL3810142 0.82 PTGS2 (0.40) PTGS2PTGER4SCN10ACA12CA9
SCHEMBL13754677 0.81 PTGS2 (0.44) PTGS2NPSR1PTGER4
SCHEMBL4485765 0.80 MAPT (0.37) PTGS2PTGER4CYP1A2TP53
SCHEMBL4478340 0.80 NOTUM (0.35) PTGS2PTGER4NOTUM
SCHEMBL4478658 0.79 MAT2A (0.40) SCN10ACA12CA9NOTUMSCN5A
SCHEMBL4471452 0.78 KDM1A (0.44) PTGS2NOTUMCYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-7579353-B2 Pyridinone derivatives against malaria GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US 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-20080287461-A1 Pyridinone Derivatives Against Malaria G6PD, PNPO, PLPBP PTGS2 1111/4885NPSR1 3459/4885PTGER4 551/4885

“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.