SCHEMBL13168593

SCHEMBL13168593

CN(C)C(=O)n1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3F)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 6/20 0.62
SCN9A Q15858 1/20 0.53
HSPB1 P04792 3/20 0.46
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MGLL Q99685 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 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
SCHEMBL13168592 0.88 SCN4A (0.56) SCN4ASCN9AHSPB1MAPTSMN1; SMN2
SCHEMBL13168517 0.87 SCN4A (0.74) SCN4ASCN9AHSPB1MAPTALDH1A1
SCHEMBL13168623 0.80 SCN4A (0.62) SCN4ASCN9AMGLL
SCHEMBL1384380 0.77 SCN4A (1.00) SCN4ASCN9AMGLL
SCHEMBL1384489 0.74 SCN4A (0.77) SCN4AHSPB1MAPTSMN1; SMN2MAPK1
SCHEMBL27859313 0.73 HSPB1 (0.82) HSPB1MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL6702108 0.73 SCN4A (0.57) SCN4AMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL3365086 0.72 SCN4A (1.00) SCN4ASCN9AHSPB1MAPTSMN1; SMN2
SCHEMBL22529905 0.71 HSPB1 (0.62) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL13168622 0.71 SCN4A (1.00) SCN4ASCN9AHSPB1

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-20100247435-A1 MEASUREMENT OF NEURAL ACTIVITY ARSTAD ERIK 2010-09-30 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-20100247435-A1 MEASUREMENT OF NEURAL ACTIVITY GAP43, ACHE, BDNF SCN4A 399/4885SCN9A 824/4885HSPB1 4498/4885

“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.