SCHEMBL4498185

SCHEMBL4498185

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

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
KMT2A Q03164 4/20 0.68
GAA P10253 4/20 0.51
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 2/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
MPO P05164 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL4471420 0.83 KMT2A (0.49) ALDH1A1KMT2AGAAMAPK1L3MBTL1
SCHEMBL4502462 0.78 ALDH1A1 (0.69) ALDH1A1KMT2AGAAHSD17B10HPGD
SCHEMBL4453819 0.78 ALDH1A1 (0.48) ALDH1A1KMT2AGAAHSD17B10HPGD
SCHEMBL4495436 0.74 ATM (0.55) ALDH1A1KMT2AGAAHPGDKDM4E
SCHEMBL7083963 0.74 ALDH1A1 (0.66) ALDH1A1KMT2AGAAHSD17B10HPGD
SCHEMBL4454520 0.74 MAPT (0.47) ALDH1A1KMT2AGAAHSD17B10HPGD
SCHEMBL4456504 0.71 ALDH1A1 (0.56) ALDH1A1KMT2AGAAHSD17B10HPGD
SCHEMBL9955263 0.70 KMT2A (0.60) ALDH1A1KMT2AHSD17B10HPGDL3MBTL1
SCHEMBL4456847 0.70 MPO (0.46) ALDH1A1KMT2AGAAL3MBTL1KDM4E
SCHEMBL7255769 0.69 ALDH1A1 (0.60) ALDH1A1KMT2AGAAHPGDKDM4E

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 296/4885KMT2A 2979/4885GAA 602/4885

“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.