SCHEMBL8293540

SCHEMBL8293540

CN(C)C(=O)c1ccccc1/C=[N+](\[O-])C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 4/20 0.39
KEAP1 Q14145 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A4 P31645 1/20 0.35
CXCR2 P25025 1/20 0.34
AR P10275 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
CCR6 P51684 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
SCHEMBL2799190 1.00 MEN1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL14390564 0.83 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL13232748 0.83 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2797694 0.83 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8293070 0.83 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8294637 0.79 LMNA (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1AR
SCHEMBL2800995 0.79 LMNA (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1AR
SCHEMBL1647150 0.73 MEN1 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL7900406 0.72 CA12 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4711162 0.72 ALDH1A1 (0.42) MEN1KMT2AALDH1A1L3MBTL1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2010-07-01 US disclosed
WO-2005016272-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-02-24 WO 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-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 MEN1 4882/4885KMT2A 4071/4885SMN1; SMN2 1311/4885

“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.