SCHEMBL5429682

SCHEMBL5429682

S=c1[nH]nc(COc2cccc(Cl)c2Cl)n1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
GAA P10253 4/20 0.61
TDP1 Q9NUW8 1/20 0.59
GFER P55789 1/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 5/20 0.55
RECQL P46063 1/20 0.55
HPGD P15428 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALOX12 P18054 1/20 0.51

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
SCHEMBL5426616 0.91 KDM4E (0.73) KDM4EGAATDP1GFERMEN1
SCHEMBL5437704 0.81 KDM4E (0.77) KDM4EGAATDP1GFERALDH1A1
SCHEMBL5432352 0.79 GAA (0.82) KDM4EGAATDP1GFERMEN1
SCHEMBL5434979 0.79 ALDH1A1 (0.67) KDM4EGAATDP1GFERMEN1
SCHEMBL5426838 0.79 MEN1 (0.87) KDM4EGAATDP1GFERMEN1
SCHEMBL5429975 0.78 KDM4E (0.72) KDM4EGAATDP1GFERALDH1A1
SCHEMBL5431432 0.78 GFER (0.74) KDM4EGAATDP1GFERMEN1
SCHEMBL5432577 0.78 KDM4E (0.74) KDM4EGAATDP1GFERMEN1
SCHEMBL5426754 0.74 ALDH1A1 (0.72) KDM4EGAATDP1GFERMEN1
SCHEMBL5427695 0.74 KDM4E (0.65) KDM4EGAATDP1GFERALDH1A1

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-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.