SCHEMBL4480435

SCHEMBL4480435

Cc1[nH]c(C)c(-c2c[nH]c(-c3ccc(OC(F)(F)F)cc3)cc2=O)c(=O)c1Br

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.40
SCN10A Q9Y5Y9 8/20 0.37
KCNH2 Q12809 4/20 0.37
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
PSD A5PKW4 1/20 0.34
PTGS2 P35354 1/20 0.34
KIF11 P52732 1/20 0.33
MAT2A P31153 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
DAO P14920 1/20 0.33
BACE1 P56817 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
SCHEMBL4490716 0.87 SCN10A (0.37) SLC2A1SCN10AKCNH2SCN1ASCN5A
Hydrochloric Acid SCHEMBL4489667 0.86 SCN10A (0.36) SLC2A1SCN10AKCNH2SCN1ASCN5A
SCHEMBL4472791 0.85 SLC2A1 (0.46) SLC2A1PTGS2DAO
SCHEMBL4478663 0.84 SCN10A (0.38) SCN10AKCNH2SCN1ASCN5ASCN9A
SCHEMBL4464654 0.84 ADORA2A (0.39) SLC2A1PTGS2
SCHEMBL4490476 0.83 SLC2A1 (0.38) SLC2A1
SCHEMBL4493607 0.83 SLC2A1 (0.43) SLC2A1SCN9AMMP2MMP9DAO
SCHEMBL4487870 0.82 SLC2A1 (0.40) SLC2A1
SCHEMBL4483281 0.81 SLC2A1 (0.44) SLC2A1
SCHEMBL4487288 0.80 PTGS2 (0.39) SLC2A1PTGS2

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 8 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 claimed
US-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US claimed
EP-1858876-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2007-11-28 EP claimed
WO-2006094799-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2006-09-14 WO claimed
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
EP-1858876-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006094799-A2 PYRIDINONE DERIVATIVES AGAINST MALARIA GLAXO GROUP LIMITED (GB) 2006-09-14 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-20080287461-A1 Pyridinone Derivatives Against Malaria G6PD, PNPO, PLPBP SLC2A1 2278/4885SCN10A 3578/4885KCNH2 1502/4885

“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.