SCHEMBL4498723

SCHEMBL4498723

Nc1c(N=O)c(=O)[nH]c(=S)n1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HCAR1 Q9BXC0 4/20 0.40
PDE7A Q13946 1/20 0.39
HPGD P15428 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
CASP6 P55212 1/20 0.36
LIG1 P18858 1/20 0.35
LIG3 P49916 1/20 0.35

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
SCHEMBL4454027 0.95 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2HCAR1PDE7A
SCHEMBL4498921 0.83 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2HCAR1PDE7A
SCHEMBL4454520 0.81 MAPT (0.47) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL15330466 0.78 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2HCAR1PDE7A
SCHEMBL4492126 0.78 MAPT (0.47) ALDH1A1KDM4ESMN1; SMN2GRIN2DGRIN3B
SCHEMBL4501815 0.77 MEN1 (0.47) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL4458183 0.76 GRIN2D (0.38) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4465222 0.74 MAPT (0.43) ALDH1A1KDM4ESMN1; SMN2GRIN2DGRIN3B
SCHEMBL4471023 0.74 MEN1 (0.44) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL4502462 0.71 ALDH1A1 (0.69) ALDH1A1KDM4EHCAR1PDE7AHPGD

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 ALDH1A1 296/4885KDM4E 3612/4885SMN1; SMN2 1754/4885

“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.