SCHEMBL4458183

SCHEMBL4458183

Nc1c(N=O)c(=O)[nH]c(=S)n1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.38
GRIN3B O60391 5/20 0.38
GRIN1 Q05586 5/20 0.38
GRIN2A Q12879 5/20 0.38
GRIN2B Q13224 5/20 0.38
GRIN2C Q14957 5/20 0.38
GRIN3A Q8TCU5 5/20 0.38
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
HTT P42858 1/20 0.31
CASP6 P55212 1/20 0.31
DUSP3 P51452 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
SCHEMBL4492126 0.87 MAPT (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4501815 0.86 MEN1 (0.47) MAPTMEN1KMT2ACA12CA1
SCHEMBL4465222 0.82 MAPT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4471023 0.82 MEN1 (0.44) MAPTMEN1KMT2ACA12CA1
SCHEMBL4502590 0.81 MAPT (0.39) MAPTMEN1KMT2ACDK2CA12
SCHEMBL4460460 0.81 MAPT (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4471377 0.79 GAA (0.52) MAPTMEN1KMT2ACA12CA1
SCHEMBL4456810 0.77 CA12 (0.41) MAPTMEN1KMT2ACA12CA1
SCHEMBL4498723 0.76 ALDH1A1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4454976 0.75 KMT2A (0.50) MAPTMEN1KMT2ACA12CA1

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 3 patents. 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
EP-2010534-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120097-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 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-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX GRIN2D 2470/4885GRIN3B 1869/4885GRIN1 774/4885

“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.