SCHEMBL3213149

SCHEMBL3213149

O=[N+]([O-])c1ccc(OCC2CCCNC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
CYP19A1 P11511 2/20 0.47
S1PR4 O95977 1/20 0.46
MAP2K1 Q02750 1/20 0.41
HSPB1 P04792 2/20 0.41
IKBKB O14920 2/20 0.40
CHUK O15111 2/20 0.40
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ACP1 P24666 1/20 0.39
FEN1 P39748 1/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.38

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
SCHEMBL22069747 0.86 CYP19A1 (0.59) CYP19A1S1PR4HSPB1
SCHEMBL13419634 0.85 S1PR4 (0.49) CYP19A1S1PR4HSPB1CYP2D6SLC6A2
SCHEMBL2551985 0.84 S1PR4 (0.54) CYP19A1S1PR4HSPB1
Tert-Butyl Formate SCHEMBL28130500 0.82 CYP19A1 (0.44) SCN9ACYP19A1MAP2K1IKBKBCHUK
SCHEMBL13419324 0.79 SCN9A (0.53) SCN9AMAP2K1IKBKBCHUKPIM1
SCHEMBL3203873 0.78 CYP19A1 (0.48) CYP19A1S1PR4HSPB1
SCHEMBL19462407 0.78 CYP2D6 (0.53) CYP19A1MAP2K1CYP2D6SLC6A2SLC6A4
SCHEMBL30152356 0.77 S1PR4 (0.48) SCN9ACYP19A1S1PR4HSPB1
SCHEMBL30879298 0.76 CYP19A1 (0.62) CYP19A1S1PR4HSPB1
SCHEMBL13419646 0.76 S1PR4 (0.50) CYP19A1S1PR4HSPB1F2

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 6 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-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
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 2656/4885CYP19A1 2196/4885S1PR4 1589/4885

“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.