SCHEMBL4485765

SCHEMBL4485765

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
STAT3 P40763 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
PTGER4 P35408 1/20 0.37
KDM1A O60341 1/20 0.36
ALK Q9UM73 1/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35
CSNK2A1 P68400 2/20 0.35
MMP3 P08254 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PTGS2 P35354 4/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL13754677 0.88 PTGS2 (0.44) MAPTPTGER4MMP3ALDH1A1PTGS2
SCHEMBL3397603 0.86 KDM1A (0.40) SMN1; SMN2NPC1RAB9APTGER4KDM1A
SCHEMBL4485980 0.84 BRD4 (0.40) MAPTSMN1; SMN2NPC1RAB9APTGER4
SCHEMBL4478340 0.83 NOTUM (0.35) PTGER4PTGS2
SCHEMBL13761581 0.83 PTGS2 (0.48) MAPTKDM1AKDM4EPTGS2CYP1A2
SCHEMBL4481069 0.83 TP53 (0.36) MAPTSMN1; SMN2MMP3KDM4EPTGS2
SCHEMBL4485182 0.80 PTGS2 (0.44) PTGER4PTGS2TP53CYP1A2
SCHEMBL4468273 0.79 ALDH1A1 (0.45) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4477921 0.78 DGAT1 (0.42) PTGER4
SCHEMBL4471452 0.77 KDM1A (0.44) NPC1RAB9AKDM1AKDM4EALDH1A1

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 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 MAPT 1942/4885SMN1; SMN2 1885/4885NPC1 2243/4885

“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.