SCHEMBL4454086

SCHEMBL4454086

Nc1c(N)n(-c2cccc(Cl)c2)c(=S)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
DUSP3 P51452 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
GAA P10253 3/20 0.43
MGLL Q99685 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
XDH P47989 1/20 0.40

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
SCHEMBL4471023 0.90 MEN1 (0.44) ALDH1A1DUSP3MEN1KMT2AKDM4E
SCHEMBL4502590 0.84 MAPT (0.39) ALDH1A1DUSP3MEN1KMT2AKDM4E
SCHEMBL4495172 0.84 GAA (0.44) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4501815 0.83 MEN1 (0.47) ALDH1A1DUSP3MEN1KMT2AKDM4E
SCHEMBL4504602 0.83 MAPT (0.51) ALDH1A1MEN1KMT2AKDM4ECA12
SCHEMBL4465236 0.82 KDM4E (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4488530 0.81 MGLL (0.48) ALDH1A1KDM4EHPGDLMNACA12
SCHEMBL4489173 0.81 NSD2 (0.42) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4500301 0.79 GAA (0.45) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4489566 0.78 GAA (0.67) ALDH1A1DUSP3MEN1KMT2AKDM4E

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 ALDH1A1 296/4885DUSP3 4205/4885MEN1 2777/4885

“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.