SCHEMBL5447252

SCHEMBL5447252

CN1C[C@H](c2ccc(N)cc2)[C@@H]([N+](=O)[O-])C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP19A1 P11511 3/20 0.36
ALDH1A1 P00352 3/20 0.35
PDE4B Q07343 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ADRA2C P18825 1/20 0.32
GFER P55789 1/20 0.32
PTK2B Q14289 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL5447257 1.00 KMT2A (0.40) KMT2AMEN1CYP19A1ALDH1A1PDE4B
SCHEMBL5447249 1.00 KMT2A (0.40) KMT2AMEN1CYP19A1ALDH1A1PDE4B
SCHEMBL5187528 0.84 MEN1 (0.54) KMT2AMEN1ALDH1A1
SCHEMBL21748812 0.84 MEN1 (0.54) KMT2AMEN1ALDH1A1GAA
SCHEMBL21748813 0.84 MEN1 (0.54) KMT2AMEN1ALDH1A1GAA
SCHEMBL5187522 0.84 MEN1 (0.54) KMT2AMEN1ALDH1A1
SCHEMBL21748809 0.84 MEN1 (0.54) KMT2AMEN1ALDH1A1GAA
SCHEMBL5446034 0.84 MEN1 (0.40) KMT2AMEN1PDE4B
SCHEMBL5446044 0.84 MEN1 (0.40) KMT2AMEN1PDE4B
SCHEMBL5446039 0.84 MEN1 (0.40) KMT2AMEN1PDE4B

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-20070270471-A1 Compounds Which Potentiate Glutamate Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2007-11-22 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-20070270471-A1 Compounds Which Potentiate Glutamate Receptor and Uses Thereof in Medicine GRM3, GLRA3, GLRA1 KMT2A 1913/4885MEN1 2794/4885CYP19A1 2019/4885

“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.