SCHEMBL24701190

SCHEMBL24701190

COc1nccc2ccc(N[C@H]3CC[C@H](CNc4ncc([N+](=O)[O-])cn4)CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.48
PRKCQ Q04759 11/20 0.38
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
VCP P55072 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCN9A Q15858 1/20 0.33
PABPC1 P11940 1/20 0.33

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
SCHEMBL24700947 0.90 EZH2 (0.47) EZH2PRKCQVCP
SCHEMBL24701096 0.87 EZH2 (0.49) EZH2PRKCQVCP
SCHEMBL24701362 0.87 EZH2 (0.50) EZH2
SCHEMBL23169671 0.87 EZH2 (0.50) EZH2
SCHEMBL24701368 0.86 EZH2 (0.60) EZH2PRKCQVCP
SCHEMBL23169326 0.86 EZH2 (0.49) EZH2
SCHEMBL23169498 0.86 EZH2 (0.49) EZH2
SCHEMBL23169380 0.85 EZH2 (0.49) EZH2
SCHEMBL23169336 0.85 EZH2 (0.55) EZH2VCP
SCHEMBL23169566 0.84 EZH2 (0.47) EZH2PRKCQ

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-20220280509-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-09-08 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-20220280509-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF EZH2, BMI1, EED EZH2 1/4885PRKCQ 488/4885KMT2A 32/4885

“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.