SCHEMBL3209990

SCHEMBL3209990

CC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
THRB P10828 1/20 0.64
ALDH1A1 P00352 5/20 0.60
LMNA P02545 4/20 0.60
KMT2A Q03164 2/20 0.59
POLB P06746 2/20 0.55
SLC6A5 Q9Y345 7/20 0.53
SLC6A9 P48067 6/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.53
DPP4 P27487 1/20 0.52

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
SCHEMBL521490 0.88 MAPT (0.61) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL10036407 0.85 ALDH1A1 (0.63) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL852655 0.84 ALDH1A1 (0.66) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL30309487 0.84 ALDH1A1 (0.66) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL14464189 0.84 ALDH1A1 (0.79) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL30957484 0.83 LMNA (0.69) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL3553731 0.83 LMNA (0.69) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL3030234 0.82 ALDH1A1 (0.61) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL521453 0.81 ALDH1A1 (0.59) MAPTTHRBALDH1A1LMNAKMT2A
SCHEMBL521454 0.81 ALDH1A1 (0.59) MAPTTHRBALDH1A1LMNAKMT2A

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 MAPT 4713/4885THRB 1171/4885ALDH1A1 2263/4885

“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.