SCHEMBL13419616

SCHEMBL13419616

CC(C)(C)OC(=O)N1CCCC(COc2ccc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.59
ALOX5AP P20292 3/20 0.48
FEN1 P39748 3/20 0.48
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
CHEK2 O96017 1/20 0.44
GPR119 Q8TDV5 3/20 0.42
BTK Q06187 1/20 0.41
CYP19A1 P11511 2/20 0.41
RBP4 P02753 1/20 0.41
KAT7 O95251 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
S1PR4 O95977 1/20 0.40
PDE4B Q07343 1/20 0.40
ACKR3 P25106 1/20 0.40

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
SCHEMBL16980646 0.93 SCN9A (0.59) SCN9AALOX5APFEN1ALDH1A1LMNA
SCHEMBL4031568 0.90 SCN9A (0.51) SCN9AALOX5APFEN1ALDH1A1LMNA
SCHEMBL13419611 0.89 ALDH1A1 (0.50) SCN9AALOX5APFEN1ALDH1A1LMNA
SCHEMBL13419707 0.85 SCN9A (0.62) SCN9AALOX5APFEN1CHEK2GPR119
SCHEMBL19690228 0.84 PDE4B (0.48) SCN9AALOX5APFEN1ALDH1A1LMNA
SCHEMBL13419624 0.84 GPR119 (0.51) SCN9AALDH1A1LMNAMAPTCHEK2
SCHEMBL13419614 0.83 ALOX5AP (0.47) SCN9AALOX5APFEN1ALDH1A1LMNA
SCHEMBL3203873 0.82 CYP19A1 (0.48) CYP19A1S1PR4
SCHEMBL447502 0.82 RBP4 (0.50) SCN9AALOX5APFEN1ALDH1A1LMNA
SCHEMBL446527 0.82 RBP4 (0.50) SCN9AALOX5APFEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 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 (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-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 SCN9A 2656/4885ALOX5AP 594/4885FEN1 4126/4885

“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.