SCHEMBL5429975

SCHEMBL5429975

CCCCOc1ccccc1OCc1n[nH]c(=S)n1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.72
GAA P10253 4/20 0.65
TDP1 Q9NUW8 3/20 0.62
CETP P11597 1/20 0.62
RECQL P46063 1/20 0.61
ALDH1A1 P00352 3/20 0.60
LMNA P02545 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GFER P55789 1/20 0.58
HPGD P15428 1/20 0.54
APOBEC3G Q9HC16 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 0.89 GAA (0.77) KDM4EGAATDP1CETPRECQL
SCHEMBL5437704 0.86 KDM4E (0.77) KDM4EGAATDP1RECQLALDH1A1
SCHEMBL5426866 0.86 CETP (0.59) KDM4EGAATDP1CETPRECQL
SCHEMBL5428602 0.85 GFER (0.73) KDM4EGAATDP1CETPRECQL
SCHEMBL5426616 0.81 KDM4E (0.73) KDM4EGAATDP1RECQLALDH1A1
SCHEMBL5432352 0.79 GAA (0.82) KDM4EGAATDP1RECQLALDH1A1
SCHEMBL5426774 0.79 GAA (0.81) KDM4EGAATDP1RECQLALDH1A1
SCHEMBL16774633 0.77 CETP (1.00) KDM4EGAATDP1CETPALDH1A1
SCHEMBL5438073 0.76 GAA (0.77) KDM4EGAATDP1RECQLALDH1A1
SCHEMBL5426838 0.76 MEN1 (0.87) KDM4EGAATDP1RECQLALDH1A1

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 KDM4E 2540/4885GAA 174/4885TDP1 742/4885

“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.