SCHEMBL4475897

SCHEMBL4475897

CCCCc1ccc(-c2ccc(-c3c(C)[nH]c(C)c(Br)c3=O)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.53
NPC1 O15118 8/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
NFKB1 P19838 4/20 0.53
NFKB2 Q00653 4/20 0.53
RELA Q04206 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 2/20 0.53
SLC2A1 P11166 1/20 0.46
MAPT P10636 4/20 0.43
STAT3 P40763 1/20 0.43
ATM Q13315 1/20 0.43
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
EIF4A1 P60842 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
Hydrochloric Acid SCHEMBL4485631 0.99 RAB9A (0.52) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL4490477 0.82 SLC2A1 (0.48) SLC2A1MAPTALDH1A1POLB
SCHEMBL4464652 0.81 SLC2A1 (0.47) NPC1SLC2A1BRS3
SCHEMBL4487868 0.81 SLC2A1 (0.45) RAB9ANPC1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL4487292 0.79 SLC2A1 (0.44) SLC2A1ATM
SCHEMBL4472787 0.78 SLC2A1 (0.58) L3MBTL1SLC2A1KDM4E
SCHEMBL4479169 0.78 SLC2A1 (0.43) L3MBTL1SLC2A1ATMKDM4EALDH1A1
SCHEMBL4480432 0.75 SLC2A1 (0.50) SLC2A1
SCHEMBL4475903 0.74 CTSV (0.46) SLC2A1MAPTEIF4A1GPR84NISCH
SCHEMBL4484308 0.74 SLC2A1 (0.48) SMN1; SMN2SLC2A1MAPTGAA

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 RAB9A 2000/4885NPC1 2243/4885SMN1; SMN2 1885/4885

“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.