SCHEMBL4486512

SCHEMBL4486512

Cc1[nH]c(C)c(-c2ccc(-c3ccccc3F)nc2)c(=O)c1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
SCD O00767 2/20 0.45
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 1/20 0.38
NPC1 O15118 1/20 0.36
DHODH Q02127 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
MAPKAPK2 P49137 2/20 0.35
MAPK9 P45984 1/20 0.35
IDO1 P14902 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL4490980 0.86 SCD (0.45) SLC2A1SCDCYP11B1CYP11B2NPC1
SCHEMBL4488013 0.86 SLC2A1 (0.45) SLC2A1SCDDHODHTNKS2MAPKAPK2
SCHEMBL4489336 0.85 SLC2A1 (0.52) SLC2A1ALOX5APFEN1MAPKAPK2
SCHEMBL4490477 0.84 SLC2A1 (0.48) SLC2A1DHODH
SCHEMBL4464652 0.83 SLC2A1 (0.47) SLC2A1NPC1PTGS2
SCHEMBL4487868 0.78 SLC2A1 (0.45) SLC2A1NPC1L3MBTL1
SCHEMBL4472787 0.77 SLC2A1 (0.58) SLC2A1L3MBTL1TNKSTNKS2
SCHEMBL4476390 0.76 SLC2A1 (0.56) SLC2A1ALOX5APFEN1
SCHEMBL4487292 0.76 SLC2A1 (0.44) SLC2A1SCDALOX5APPTGS2
SCHEMBL4483279 0.75 SLC2A1 (0.58) SLC2A1ALOX5APFEN1

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 10 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
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 2278/4885SCD 3560/4885CYP11B1 95/4885

“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.