SCHEMBL4500342

SCHEMBL4500342

Nc1cc(=O)[nH]c(=S)n1-c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
GAA P10253 2/20 0.55
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.48
KDM4E B2RXH2 2/20 0.47
APOBEC3G Q9HC16 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
POLB P06746 1/20 0.41
KCNH2 Q12809 1/20 0.40
GPR84 Q9NQS5 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
SCHEMBL4511434 0.87 GAA (0.54) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL4460460 0.85 MAPT (0.51) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL4489566 0.84 GAA (0.67) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL7088161 0.84 GAA (0.55) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL7255769 0.84 ALDH1A1 (0.60) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL7083963 0.83 ALDH1A1 (0.66) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL4495436 0.80 ATM (0.55) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL7084232 0.77 ALDH1A1 (0.49) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL4502462 0.75 ALDH1A1 (0.69) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL4504602 0.74 MAPT (0.51) MAPTGAAALDH1A1KMT2AKDM4E

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
US-20030232813-A1 Novel amino substituted pyrimidinone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-18 US disclosed
WO-2003084936-A2 AMINO SUBSTITUTED PYRIMIDINONE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 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 (2 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 4050/4885GAA 602/4885ALDH1A1 296/4885
US-20030232813-A1 Novel amino substituted pyrimidinone derivatives TPMT, TYMP, CYP3A5 MAPT 47/4885GAA 1958/4885ALDH1A1 596/4885

“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.