SCHEMBL5432292

SCHEMBL5432292

S=c1[nH]nc(Cc2ccc(Cl)cc2)n1-c1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.89
GAA P10253 3/20 0.89
HPGD P15428 6/20 0.81
POLB P06746 1/20 0.62
KDM4E B2RXH2 2/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
APOBEC3G Q9HC16 1/20 0.58
ALOX12 P18054 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 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
SCHEMBL7695139 0.94 ALDH1A1 (1.00) ALDH1A1GAAHPGDPOLBKDM4E
SCHEMBL5438762 0.90 ALDH1A1 (1.00) ALDH1A1GAAHPGDPOLBKDM4E
SCHEMBL5434943 0.86 ALDH1A1 (0.76) ALDH1A1GAAHPGDPOLBKDM4E
SCHEMBL5436237 0.85 ALDH1A1 (0.74) ALDH1A1GAAHPGDPOLBMEN1
SCHEMBL5426722 0.81 ALDH1A1 (0.71) ALDH1A1GAAHPGDKDM4EMEN1
SCHEMBL5431931 0.81 ALDH1A1 (0.72) ALDH1A1GAAHPGDPOLBKDM4E
SCHEMBL5426754 0.80 ALDH1A1 (0.72) ALDH1A1GAAHPGDKDM4EMEN1
SCHEMBL5426838 0.80 MEN1 (0.87) ALDH1A1GAAHPGDKDM4EMEN1
SCHEMBL5431453 0.79 ALDH1A1 (0.74) ALDH1A1GAAHPGDPOLBKDM4E
SCHEMBL5432040 0.78 ALDH1A1 (0.76) ALDH1A1GAAHPGDPOLBKDM4E

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 151/4885GAA 174/4885HPGD 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.