SCHEMBL4499372

SCHEMBL4499372

N#Cc1cccc(-n2c(N)c(N=O)c(=O)[nH]c2=S)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.39
TDP2 O95551 4/20 0.39
ALOX5 P09917 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
NOTUM Q6P988 1/20 0.37
GAA P10253 1/20 0.36
FADS1 O60427 2/20 0.35
XDH P47989 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 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
SCHEMBL4489173 0.85 NSD2 (0.42) NSD2TDP2ALOX5KDM4ELMNA
SCHEMBL4319628 0.83 ALOX5 (0.40) NSD2TDP2ALOX5DRD2DRD3
SCHEMBL4501815 0.83 MEN1 (0.47) KDM4ELMNAGAAMEN1ALDH1A1
SCHEMBL4456810 0.81 CA12 (0.41) ALOX5KDM4ELMNAGAAFADS1
SCHEMBL4454521 0.79 MGLL (0.44) ALOX5KDM4ELMNAGAAMEN1
SCHEMBL4471023 0.79 MEN1 (0.44) KDM4ELMNAGAAMEN1ALDH1A1
SCHEMBL4566658 0.78 CA12 (0.38) TDP2KDM4ELMNAGAAMEN1
SCHEMBL4455334 0.77 GAA (0.42) KDM4ELMNADRD2DRD3NOTUM
SCHEMBL4492543 0.76 GAA (0.61) NSD2TDP2ALOX5DRD2DRD3
SCHEMBL4316275 0.76 NSD2 (0.43) NSD2TDP2ALOX5DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-11-19 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-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX NSD2 4186/4885TDP2 809/4885ALOX5 463/4885

“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.