SCHEMBL6801682

SCHEMBL6801682

O=C(N[C@@H]1CCOC1=O)c1ccc(Nc2nn(-c3cccc(Cl)c3)c(=O)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
BDKRB1 P46663 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
RIPK1 Q13546 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
NR3C1 P04150 1/20 0.36
MAOB P27338 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL7135489 1.00 HDAC1 (0.40) HDAC1HDAC6HDAC8BDKRB1PDE4B
SCHEMBL6805857 0.90 KHK (0.44) HDAC1HDAC6BDKRB1RIPK1MAPT
SCHEMBL7137097 0.90 KHK (0.44) HDAC1HDAC6BDKRB1RIPK1MAPT
SCHEMBL6805271 0.90 BDKRB1 (0.38) HDAC1HDAC6HDAC8BDKRB1PDE4B
SCHEMBL6801089 0.90 KHK (0.39) NR3C1
SCHEMBL6806651 0.88 KMT2A (0.44) PTGDR2NR3C1
SCHEMBL6800502 0.88 KMT2A (0.44) PTGDR2NR3C1
SCHEMBL6804988 0.88 KMT2A (0.44) PTGDR2NR3C1
Hydrochloric Acid SCHEMBL6811362 0.84 CRACR2A (0.39) BDKRB1MAPT
SCHEMBL7087405 0.84 PKM (0.58) HDAC1HDAC6HDAC8RIPK1MAPT

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-20040029875-A1 Novel aminotriazolone compounds, method for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2004-02-12 US claimed
EP-1324998-A1 NOVEL AMINOTRIAZOLONE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2003-07-09 EP claimed
WO-2002030923-A1 NOVEL AMINOTRIAZOLONE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2002-04-18 WO claimed
US-20040029875-A1 Novel aminotriazolone compounds, method for preparing same and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2004-02-12 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-20040029875-A1 Novel aminotriazolone compounds, method for preparing same and pharmaceutical compositions containing same ADORA1, AASDHPPT, AADAT HDAC1 3236/4885HDAC6 2279/4885HDAC8 4272/4885

“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.