SCHEMBL5428602

SCHEMBL5428602

CCCCOc1cccc(OCc2n[nH]c(=S)n2-c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.73
GAA P10253 4/20 0.70
RECQL P46063 1/20 0.70
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HPGD P15428 1/20 0.62
ALOX12 P18054 1/20 0.62
CETP P11597 1/20 0.58
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL5426953 0.93 GAA (0.77) GFERGAARECQLALDH1A1KDM4E
SCHEMBL5435254 0.87 GFER (0.78) GFERGAARECQLALDH1A1KDM4E
SCHEMBL5426957 0.87 ALDH1A1 (0.62) GFERGAARECQLALDH1A1TDP1
SCHEMBL5429975 0.85 KDM4E (0.72) GFERGAARECQLALDH1A1KDM4E
SCHEMBL5432352 0.84 GAA (0.82) GFERGAARECQLALDH1A1KDM4E
SCHEMBL5431432 0.82 GFER (0.74) GFERGAARECQLALDH1A1KDM4E
SCHEMBL5437436 0.82 GFER (0.73) GFERGAARECQLALDH1A1KDM4E
SCHEMBL5426774 0.81 GAA (0.81) GFERGAARECQLALDH1A1KDM4E
SCHEMBL5438073 0.78 GAA (0.77) GFERGAARECQLALDH1A1KDM4E
SCHEMBL5426838 0.78 MEN1 (0.87) GFERGAARECQLALDH1A1KDM4E

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 GFER 878/4885GAA 174/4885RECQL 611/4885

“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.