SCHEMBL5438073

SCHEMBL5438073

S=c1[nH]nc(COc2ccc(Br)cc2)n1-c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.77
ALDH1A1 P00352 3/20 0.69
RECQL P46063 1/20 0.68
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
GFER P55789 1/20 0.65
TDP1 Q9NUW8 1/20 0.63
KDM4E B2RXH2 2/20 0.63
HPGD P15428 1/20 0.63
ALOX12 P18054 1/20 0.63

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
SCHEMBL5432352 0.90 GAA (0.82) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL5426846 0.89 GAA (0.68) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL5426838 0.87 MEN1 (0.87) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL5426774 0.87 GAA (0.81) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL5426953 0.85 GAA (0.77) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL5430094 0.84 GAA (0.72) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL5431948 0.82 GAA (0.72) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL5434608 0.81 GAA (0.67) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL5431908 0.80 GAA (0.66) GAAALDH1A1RECQLMEN1KMT2A
SCHEMBL5435254 0.79 GFER (0.78) GAAALDH1A1RECQLMEN1KMT2A

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 GAA 174/4885ALDH1A1 151/4885RECQL 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.