SCHEMBL5429664

SCHEMBL5429664

Oc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.75
HPGD P15428 8/20 0.75
KMT2A Q03164 3/20 0.75
MEN1 O00255 2/20 0.75
KDM4E B2RXH2 9/20 0.68
GFER P55789 2/20 0.68
PPARG P37231 1/20 0.66
NCOA2 Q15596 1/20 0.66
NCOA1 Q15788 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MAPT P10636 1/20 0.63
HSD17B10 Q99714 2/20 0.60
GAA P10253 1/20 0.60
APOBEC3G Q9HC16 2/20 0.59
RXFP1 Q9HBX9 1/20 0.59
PKM P14618 1/20 0.59
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57

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
SCHEMBL7072642 0.89 ALDH1A1 (0.81) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL8978517 0.84 ALDH1A1 (0.75) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL13729062 0.83 TDP1 (0.75) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL8978622 0.82 HPGD (0.79) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL8930945 0.81 ALDH1A1 (0.62) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL8978542 0.81 ALDH1A1 (0.69) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL8978598 0.79 ALDH1A1 (0.66) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL13983421 0.79 ALDH1A1 (0.56) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL12768250 0.78 ALDH1A1 (0.63) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL8978534 0.75 ALDH1A1 (1.00) ALDH1A1HPGDKMT2AMEN1KDM4E

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 4 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
US-5489598-A INHIBITS ADHESION OF MAC-1 TO ENDOTHELIAL CELLS, USEFUL FOR TREATING GASTRITIS INDUCED BY NONSTEROIDANTIINFLAMMATORY DRUGS IMFLAMMATORY BOWEL DISEASE OF ULCERATIVE COLITIS WARNER-LAMBERT COMPANY (US) 1996-02-06 US 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 ALDH1A1 151/4885HPGD 114/4885KMT2A 2318/4885

“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.