SCHEMBL4454520

SCHEMBL4454520

COc1ccccc1-n1c(N)c(N=O)c(=O)[nH]c1=S

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 10/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
APOBEC3G Q9HC16 1/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL4453819 0.84 ALDH1A1 (0.48) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL4498723 0.81 ALDH1A1 (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4454976 0.77 KMT2A (0.50) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4454027 0.77 ALDH1A1 (0.41) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4498185 0.74 ALDH1A1 (0.68) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL4456847 0.72 MPO (0.46) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL4465659 0.70 KMT2A (0.43) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL4492126 0.69 MAPT (0.47) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL4501815 0.69 MEN1 (0.47) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL6676636 0.69 GAA (0.52) MAPTMEN1KMT2AGAAKDM4E

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 MAPT 4050/4885MEN1 2777/4885KMT2A 2979/4885

“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.