SCHEMBL4480432

SCHEMBL4480432

Cc1[nH]c(C)c(-c2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)c(=O)c1Br

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.50
MAT2A P31153 1/20 0.40
SCN10A Q9Y5Y9 6/20 0.39
KCNH2 Q12809 3/20 0.39
SCN5A Q14524 2/20 0.39
SCN1A P35498 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
DGAT1 O75907 8/20 0.38
PSD A5PKW4 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 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
SCHEMBL4490712 0.86 SLC2A1 (0.40) SLC2A1MAT2ASCN10AKCNH2SCN5A
Hydrochloric Acid SCHEMBL4489660 0.85 DGAT1 (0.39) SLC2A1MAT2ASCN10AKCNH2SCN5A
SCHEMBL4472787 0.85 SLC2A1 (0.58) SLC2A1SCN2ADGAT1
SCHEMBL9266242 0.83 SLC2A1 (0.51) SLC2A1MAT2ASCN10AKCNH2SCN5A
SCHEMBL4464652 0.83 SLC2A1 (0.47) SLC2A1KCNH2PSD
SCHEMBL4493603 0.83 SLC2A1 (0.67) SLC2A1SCN10AKCNH2SCN5ASCN1A
SCHEMBL4490477 0.82 SLC2A1 (0.48) SLC2A1DGAT1
SCHEMBL4487868 0.81 SLC2A1 (0.45) SLC2A1PSD
SCHEMBL4483279 0.81 SLC2A1 (0.58) SLC2A1DGAT1
SCHEMBL4478658 0.81 MAT2A (0.40) MAT2ASCN10AKCNH2SCN5ASCN1A

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 12 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-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
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 2278/4885MAT2A 2066/4885SCN10A 3578/4885

“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.