SCHEMBL6801047

SCHEMBL6801047

COc1ccc(-n2nc(Nc3ccc(C(=O)N[C@@H]4CCOC4=O)cc3)[nH]c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
CCNE1 P24864 4/20 0.40
CDK2 P24941 4/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NR4A1 P22736 1/20 0.39
RAB9A P51151 1/20 0.39
MCL1 Q07820 1/20 0.39
F10 P00742 1/20 0.39
MEN1 O00255 1/20 0.38
JAK3 P52333 2/20 0.38
LCK P06239 1/20 0.38
RIPK1 Q13546 1/20 0.37
DHODH Q02127 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND3 P30281 1/20 0.37
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37

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
SCHEMBL6805271 0.88 BDKRB1 (0.38) F10
SCHEMBL6801089 0.88 KHK (0.39)
Hydrochloric Acid SCHEMBL6811362 0.86 CRACR2A (0.39) MAPT
SCHEMBL7137097 0.83 KHK (0.44) KMT2AMAPTRIPK1
SCHEMBL6805857 0.83 KHK (0.44) KMT2AMAPTRIPK1
SCHEMBL7135489 0.82 HDAC1 (0.40) MAPTF10RIPK1
SCHEMBL15976440 0.80 ALDH1A1 (0.48) L3MBTL1ALDH1A1
SCHEMBL12318678 0.80 ALDH1A1 (0.48) L3MBTL1ALDH1A1
SCHEMBL6806651 0.79 KMT2A (0.44) KMT2A
SCHEMBL6804988 0.79 KMT2A (0.44) KMT2A

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 1 patent. 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 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 L3MBTL1 4791/4885CCNE1 1321/4885CDK2 886/4885

“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.