SCHEMBL5437300

SCHEMBL5437300

Cc1cccc(Cc2n[nH]c(=S)n2-c2ccccc2)c1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.85
ALDH1A1 P00352 6/20 0.74
HPGD P15428 4/20 0.74
GFER P55789 1/20 0.65
GAA P10253 5/20 0.62
MAPT P10636 1/20 0.56
ALOX12 P18054 1/20 0.56
TDP1 Q9NUW8 3/20 0.56
KDM4E B2RXH2 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL17758387 0.92 POLB (1.00) POLBALDH1A1HPGDGFERGAA
SCHEMBL5431453 0.89 ALDH1A1 (0.74) POLBALDH1A1HPGDGFERGAA
SCHEMBL5438762 0.86 ALDH1A1 (1.00) POLBALDH1A1HPGDGFERGAA
SCHEMBL5436237 0.84 ALDH1A1 (0.74) POLBALDH1A1HPGDGAAMAPT
SCHEMBL5435047 0.84 HPGD (0.69) POLBALDH1A1HPGDGFERGAA
SCHEMBL5432874 0.81 ALDH1A1 (0.69) POLBALDH1A1HPGDGFERGAA
SCHEMBL5431931 0.80 ALDH1A1 (0.72) POLBALDH1A1HPGDGFERGAA
SCHEMBL5429754 0.80 ALDH1A1 (0.63) POLBALDH1A1HPGDGAAMAPT
SCHEMBL5430416 0.80 ALDH1A1 (0.67) POLBALDH1A1HPGDGFERGAA
SCHEMBL5426957 0.79 ALDH1A1 (0.62) POLBALDH1A1HPGDGFERGAA

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 POLB 798/4885ALDH1A1 151/4885HPGD 114/4885

“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.