SCHEMBL5426754

SCHEMBL5426754

S=c1[nH]nc(Cc2ccccc2Cl)n1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.72
HPGD P15428 6/20 0.72
GAA P10253 2/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
ALOX12 P18054 2/20 0.67
MAPT P10636 2/20 0.67
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
GFER P55789 1/20 0.53
CETP P11597 1/20 0.52

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
SCHEMBL5426722 0.92 ALDH1A1 (0.71) ALDH1A1HPGDGAACYP1A2CYP3A4
SCHEMBL5434979 0.91 ALDH1A1 (0.67) ALDH1A1HPGDGAACYP1A2CYP3A4
SCHEMBL5435798 0.89 ALDH1A1 (0.59) ALDH1A1HPGDGAACYP1A2CYP3A4
SCHEMBL5431924 0.89 HPGD (0.68) ALDH1A1HPGDGAACYP1A2CYP3A4
SCHEMBL5432597 0.88 ALDH1A1 (0.58) ALDH1A1HPGDGAACYP1A2CYP3A4
SCHEMBL5427746 0.87 ALDH1A1 (0.57) ALDH1A1HPGDGAACYP1A2CYP3A4
SCHEMBL5429687 0.87 ALDH1A1 (0.57) ALDH1A1HPGDGAACYP1A2CYP3A4
SCHEMBL5432104 0.86 POLB (0.70) ALDH1A1HPGDGAACYP1A2CYP3A4
SCHEMBL5433495 0.86 ALDH1A1 (0.67) ALDH1A1HPGDGAACYP1A2CYP3A4
SCHEMBL5426209 0.84 ALDH1A1 (0.54) ALDH1A1HPGDGAACYP1A2CYP3A4

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 ALDH1A1 151/4885HPGD 114/4885GAA 174/4885

“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.