SCHEMBL4478613

SCHEMBL4478613

O=c1[nH]cc(C(Br)C2CCCCC2)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
DPYD Q12882 4/20 0.35
ALDH1A1 P00352 2/20 0.35
ATAD2 Q6PL18 1/20 0.35
LMNA P02545 1/20 0.35
CYP19A1 P11511 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
HTT P42858 1/20 0.35
HBB P68871 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PNP P00491 1/20 0.35
TYMP P19971 1/20 0.31
DAO P14920 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL7668285 0.73 DPYD (0.46) GAAMAPTKDM4CDPYDALDH1A1
SCHEMBL17687568 0.67 GAA (0.50) GAAMAPTKDM4CDPYDALDH1A1
SCHEMBL16893950 0.67 GAA (0.54) GAAMAPTKDM4CDPYDALDH1A1
SCHEMBL887700 0.66 ATAD2 (0.48) GAAMAPTKDM4CDPYDALDH1A1
SCHEMBL8537479 0.65 MAPT (0.52) GAAMAPTKDM4CDPYDALDH1A1
SCHEMBL11417188 0.65 DPYD (0.46) GAAMAPTKDM4CDPYDALDH1A1
SCHEMBL1918404 0.65 ATAD2 (0.52) GAAMAPTKDM4CDPYDALDH1A1
SCHEMBL5506704 0.62 MAPT (0.48) GAAMAPTKDM4CDPYDALDH1A1
SCHEMBL8933555 0.62 GAA (0.48) GAAMAPTKDM4CDPYDALDH1A1
Thymine SCHEMBL7902560 0.61 ATAD2 (0.86) GAAMAPTKDM4CDPYDALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
US-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY (CA) 2003-08-14 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-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents NUDT1, DPYD, TYMP GAA 674/4885MAPT 1146/4885KDM4C 1853/4885

“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.