SCHEMBL5431908

SCHEMBL5431908

S=c1[nH]nc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.66
ALDH1A1 P00352 6/20 0.61
HPGD P15428 4/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
RECQL P46063 1/20 0.59
KDM4E B2RXH2 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALOX12 P18054 1/20 0.58
GFER P55789 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 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
SCHEMBL5432352 0.83 GAA (0.82) GAAALDH1A1HPGDRECQLKDM4E
SCHEMBL5426774 0.80 GAA (0.81) GAAALDH1A1HPGDRECQLKDM4E
SCHEMBL5438073 0.80 GAA (0.77) GAAALDH1A1HPGDRECQLKDM4E
SCHEMBL5432575 0.73 ALDH1A1 (0.58) GAAALDH1A1HPGDKDM4EMEN1
SCHEMBL5431432 0.72 GFER (0.74) GAAALDH1A1HPGDRECQLKDM4E
SCHEMBL5249481 0.71 HRH3 (0.60) GAAKDM4EKMT2ALMNA
SCHEMBL5426616 0.70 KDM4E (0.73) GAAALDH1A1HPGDRECQLKDM4E
SCHEMBL5437436 0.70 GFER (0.73) GAAALDH1A1HPGDRECQLKDM4E
SCHEMBL7686847 0.68 GAA (0.59) GAAALDH1A1HPGDRECQLKDM4E
SCHEMBL21615694 0.68 HRH3 (0.60) ALDH1A1KDM4EKMT2ALMNA

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 151/4885HPGD 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.