SCHEMBL5429754

SCHEMBL5429754

CNC(=O)c1cccc(Cc2n[nH]c(=S)n2-c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
HPGD P15428 4/20 0.63
POLB P06746 1/20 0.60
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
APOBEC3G Q9HC16 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL5436237 0.77 ALDH1A1 (0.74) ALDH1A1HPGDPOLBMAPTTDP1
SCHEMBL5435047 0.77 HPGD (0.69) ALDH1A1HPGDPOLBMAPTTDP1
SCHEMBL5427695 0.72 KDM4E (0.65) ALDH1A1POLBMAPTTDP1GAA
SCHEMBL5426957 0.72 ALDH1A1 (0.62) ALDH1A1HPGDPOLBTDP1GAA
SCHEMBL5429678 0.72 ALDH1A1 (0.66) ALDH1A1HPGDPOLBMAPTTDP1
SCHEMBL5432040 0.71 ALDH1A1 (0.76) ALDH1A1HPGDPOLBMAPTTDP1
SCHEMBL5430416 0.71 ALDH1A1 (0.67) ALDH1A1HPGDPOLBMAPTTDP1
SCHEMBL5432292 0.71 ALDH1A1 (0.89) ALDH1A1HPGDPOLBMAPTTDP1
SCHEMBL5426836 0.70 ALDH1A1 (1.00) ALDH1A1HPGDMAPTTDP1GAA
SCHEMBL5429695 0.70 ALDH1A1 (0.51) ALDH1A1HPGDPOLBMAPTGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093483-A1 Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo) ASTRAZENECA AB (SE) 2007-04-26 US claimed
EP-1620410-A1 USE OF DERIVATIVES OF 2, 4-DIHYDRO- 1,2,4 TRIAZOLE-3-THIONE AS INHIBITORS OF THE ENZYME MYELOPEROXIDASE (MPO) AstraZeneca AB (SE) 2006-02-01 EP claimed
WO-2004096781-A1 USE OF DERIVATIVES OF 2, 4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONE AS INHIBITORS O FTEH ENZYME MYELOPEROXIDASE (MPO) ASTRAZENECA AB (SE) 2004-11-11 WO claimed
US-20070093483-A1 Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo) ASTRAZENECA AB (SE) 2007-04-26 US disclosed
EP-1620410-A1 USE OF DERIVATIVES OF 2, 4-DIHYDRO- 1,2,4 TRIAZOLE-3-THIONE AS INHIBITORS OF THE ENZYME MYELOPEROXIDASE (MPO) AstraZeneca AB (SE) 2006-02-01 EP disclosed
WO-2004096781-A1 USE OF DERIVATIVES OF 2, 4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONE AS INHIBITORS O FTEH ENZYME MYELOPEROXIDASE (MPO) ASTRAZENECA AB (SE) 2004-11-11 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-20070093483-A1 Use of derivatives of 2, 4-dihydro-[1,2,4] triazole-3-thione as inhibitors of the enzyme myeloperoxidase (mpo) MPO, XDH, EPX ALDH1A1 151/4885HPGD 114/4885POLB 798/4885

“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.