SCHEMBL4464654

SCHEMBL4464654

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC2A1 P11166 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
MAPT P10636 2/20 0.34
PTGS2 P35354 2/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
GSK3B P49841 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
TNKS2 Q9H2K2 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
SCHEMBL4490476 0.89 SLC2A1 (0.38) ADORA2AADORA1KMT2AKDM4ESMN1; SMN2
SCHEMBL4487870 0.88 SLC2A1 (0.40) MEN1KMT2AKDM4ESMN1; SMN2SLC2A1
SCHEMBL4472791 0.87 SLC2A1 (0.46) SMN1; SMN2SLC2A1MAPTPTGS2ALDH1A1
SCHEMBL4487288 0.85 PTGS2 (0.39) SLC2A1PTGS2
SCHEMBL4475367 0.85 ADORA2A (0.39) ADORA2AADORA1MEN1KMT2AKDM4E
SCHEMBL4479166 0.84 TYMP (0.34) SLC2A1ALDH1A1GSK3B
SCHEMBL4480435 0.84 SLC2A1 (0.40) SLC2A1PTGS2
SCHEMBL4486516 0.83 ADORA2A (0.41) ADORA2AADORA1SLC2A1PTGS2TNKS2
SCHEMBL4475903 0.82 CTSV (0.46) SLC2A1CTSVCTSLMAPT
SCHEMBL4483281 0.82 SLC2A1 (0.44) SLC2A1

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 4 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-20080287461-A1 Pyridinone Derivatives Against Malaria GLAXO GROUP LIMITED (GB) 2008-11-20 US 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 ADORA2A 868/4885ADORA1 319/4885MEN1 1088/4885

“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.