SCHEMBL5431998

SCHEMBL5431998

CC1CN(c2ccc(NC(=S)NN)cc2)CC(C)O1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.83
POLB P06746 2/20 0.48
IDO1 P14902 5/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.44
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.40
LRRK2 Q5S007 2/20 0.40

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
SCHEMBL29531915 0.91 MAPT (1.00) MAPTPOLBKDM4EGAAEPHX1
SCHEMBL28897407 0.85 MAPT (0.78) MAPTPOLBGAAEPHX1ALDH1A1
SCHEMBL4165340 0.81 MAPT (0.70) MAPTPOLBALDH1A1RAB9ALRRK2
Bicarbonate SCHEMBL3555865 0.76 MAPT (0.63) MAPTPOLBKDM4EGAAALDH1A1
SCHEMBL13105197 0.75 MAPT (0.66) MAPTPOLBALDH1A1RAB9ALRRK2
SCHEMBL13105222 0.75 MAPT (0.66) MAPTPOLBALDH1A1RAB9ALRRK2
SCHEMBL6132970 0.74 MAPT (0.52) MAPTPOLBKDM4EALDH1A1LMNA
SCHEMBL6132972 0.74 MAPT (0.52) MAPTPOLBKDM4EALDH1A1LMNA
SCHEMBL13716397 0.73 MAPT (0.63) MAPTPOLBRAB9ALRRK2
SCHEMBL13716211 0.72 MAPT (0.58) MAPTGAAALDH1A1LMNASMN1; SMN2

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
CN-1780822-A Use of derivatives of 2, 4-dihydro- 1,2,4 triazole-3-thione as inhibitors of the enzyme myeloperoxidase (MPO) ASTRAZENECA AB (SE) 2006-05-31 CN 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 MAPT 2326/4885POLB 798/4885IDO1 338/4885

“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.