SCHEMBL5438871

SCHEMBL5438871

COc1ccc(NCC(=O)NN)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA12 O43570 2/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.54
ALDH1A1 P00352 7/20 0.53
MAPT P10636 6/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ROCK2 O75116 1/20 0.52
HDAC1 Q13547 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
GFER P55789 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACHE P22303 1/20 0.50
MGLL Q99685 1/20 0.49

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
SCHEMBL28288835 0.84 MAPT (0.55) CA1CA2CA12CA7CA9
SCHEMBL21980929 0.83 POLB (0.58) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL30367043 0.83 ALDH1A1 (0.67) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL26346088 0.83 MAPT (0.53) CA1CA2CA12CA7CA9
SCHEMBL9645505 0.83 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL26334041 0.83 MAPT (0.53) CA1CA2CA12CA7CA9
SCHEMBL4393702 0.82 MAPT (0.57) CA1CA2CA12CA7CA9
SCHEMBL23771121 0.81 MTNR1B (0.57) ALDH1A1MEN1KMT2AROCK2L3MBTL1
SCHEMBL9779998 0.80 MAPT (0.59) CA1CA2CA12CA7CA9
SCHEMBL1797197 0.80 MAPT (0.59) CA1CA2CA12CA9ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159540-A Novel capsid assembly inhibitor 南韩商AM科学股份有限公司 2024-06-07 CN disclosed
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-4277244-A Dye compositions for keratinic fibers containing paraphenylenediamines SOCIETE ANONYME DITE: L'OREAL (FR) 1981-07-07 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 CA1 1233/4885CA2 2824/4885CA12 3219/4885

“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.