SCHEMBL6805271

SCHEMBL6805271

O=C(N[C@@H]1CCOC1=O)c1ccc(Nc2nn(-c3ccc(Cl)cc3)c(=O)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
F10 P00742 3/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
P2RX3 P56373 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
ORAI1 Q96D31 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6801089 0.90 KHK (0.39)
SCHEMBL7135489 0.90 HDAC1 (0.40) BDKRB1HDAC1HDAC8HDAC6F10
SCHEMBL6801682 0.90 HDAC1 (0.40) BDKRB1HDAC1HDAC8HDAC6F10
Hydrochloric Acid SCHEMBL6811362 0.89 CRACR2A (0.39) BDKRB1
SCHEMBL6801047 0.88 L3MBTL1 (0.41) F10
SCHEMBL7137097 0.84 KHK (0.44) BDKRB1HDAC1HDAC6LMNA
SCHEMBL6805857 0.84 KHK (0.44) BDKRB1HDAC1HDAC6LMNA
SCHEMBL6806651 0.82 KMT2A (0.44)
SCHEMBL6804988 0.82 KMT2A (0.44)
SCHEMBL6800502 0.82 KMT2A (0.44)

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 BDKRB1 454/4885HDAC1 3236/4885HDAC8 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.