SCHEMBL2798947

SCHEMBL2798947

CC(C)(C)NC(=O)c1ccc(C=[N+]([O-])C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
SNCA P37840 1/20 0.42
AOC3 Q16853 2/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13232832 1.00 EGFR (0.48) EGFRLMNAHTTSNCAAOC3
SCHEMBL2801369 0.84 MAPT (0.45) LMNAMAPTALDH1A1KMT2A
SCHEMBL2801170 0.80 FBP1 (0.50) MAPTALDH1A1KMT2A
SCHEMBL4261334 0.80 FBP1 (0.50) MAPTALDH1A1KMT2A
SCHEMBL4261335 0.80 FBP1 (0.50) MAPTALDH1A1KMT2A
SCHEMBL13569513 0.80 MAPT (0.49) MAPTALDH1A1KMT2A
SCHEMBL4264338 0.80 MAPT (0.49) MAPTALDH1A1KMT2A
SCHEMBL11808459 0.79 ALDH1A1 (0.54) EGFRLMNAMAPTALDH1A1KMT2A
SCHEMBL13232834 0.79 TSHR (0.46) LMNAMAPTGAAALDH1A1KMT2A
SCHEMBL4259268 0.79 ALDH1A1 (0.41) ALDH1A1

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
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2005-08-18 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 (2 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 EGFR 3614/4885LMNA 3216/4885HTT 3520/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 EGFR 3614/4885LMNA 3216/4885HTT 3520/4885

“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.