SCHEMBL5426828

SCHEMBL5426828

S=c1[nH]nc(Cc2ccccc2Cl)n1CC1CCCO1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
KMT2A Q03164 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
MEN1 O00255 1/20 0.66
KDM4E B2RXH2 3/20 0.58
APOBEC3G Q9HC16 1/20 0.56
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
GAA P10253 4/20 0.46
LMNA P02545 2/20 0.46
GPR55 Q9Y2T6 1/20 0.46
TSHR P16473 1/20 0.41
HPGD P15428 3/20 0.40
CYP1A2 P05177 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GFER P55789 1/20 0.39

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
SCHEMBL5438516 0.74 MAPT (0.54) ALDH1A1KMT2AL3MBTL1KDM4ECYP3A4
SCHEMBL5436226 0.73 CYP2A13 (0.47) ALDH1A1KMT2AL3MBTL1CYP3A4CYP2C9
SCHEMBL5434798 0.72 ALDH1A1 (0.70) ALDH1A1KMT2AL3MBTL1KDM4EAPOBEC3G
SCHEMBL5427472 0.70 ALDH1A1 (0.55) ALDH1A1KMT2AL3MBTL1MEN1KDM4E
SCHEMBL5436243 0.68 ALDH1A1 (0.55) ALDH1A1KMT2AL3MBTL1MEN1KDM4E
SCHEMBL5428966 0.68 ALDH1A1 (0.53) ALDH1A1KMT2AL3MBTL1MEN1KDM4E
SCHEMBL1544175 0.68 ALDH1A1 (0.67) ALDH1A1KMT2AL3MBTL1MEN1KDM4E
SCHEMBL5426754 0.68 ALDH1A1 (0.72) ALDH1A1KMT2AL3MBTL1MEN1KDM4E
SCHEMBL5433495 0.68 ALDH1A1 (0.67) ALDH1A1KMT2AL3MBTL1MEN1KDM4E
SCHEMBL5435748 0.67 ALDH1A1 (0.61) ALDH1A1KMT2AL3MBTL1MEN1KDM4E

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 151/4885KMT2A 2318/4885L3MBTL1 3772/4885

“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.