SCHEMBL3199661

SCHEMBL3199661

CCC1CN(c2ccc([N+](=O)[O-])cc2F)CCN1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
LMNA P02545 4/20 0.55
MAPT P10636 3/20 0.54
KMT2A Q03164 2/20 0.52
THRB P10828 1/20 0.47
ADRA2A P08913 1/20 0.45
PNMT P11086 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.41
PARP1 P09874 1/20 0.41
TNK2 Q07912 1/20 0.41
TNK1 Q13470 1/20 0.41
DPP4 P27487 1/20 0.40
GAA P10253 1/20 0.40
SLC6A5 Q9Y345 1/20 0.39
RECQL P46063 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
SCHEMBL31702110 0.85 ALDH1A1 (0.73) ALDH1A1LMNAMAPTKMT2ATHRB
SCHEMBL4826536 0.85 ALDH1A1 (0.73) ALDH1A1LMNAMAPTKMT2ATHRB
SCHEMBL16580894 0.80 SIRT6 (0.56) ALDH1A1LMNAMAPTKMT2AADRA2A
SCHEMBL13419420 0.80 HTT (0.39) ALDH1A1LMNAMAPTHTTGAA
SCHEMBL28758438 0.80 ALDH1A1 (0.53) ALDH1A1LMNAMAPTKMT2ATHRB
SCHEMBL29493728 0.77 ALDH1A1 (0.69) ALDH1A1LMNAMAPTKMT2ATHRB
SCHEMBL522009 0.77 ALDH1A1 (0.69) ALDH1A1LMNAMAPTKMT2ATHRB
Hydrochloric Acid SCHEMBL4003615 0.76 ALDH1A1 (0.68) ALDH1A1LMNAMAPTKMT2ATHRB
Hydrochloric Acid SCHEMBL30255520 0.76 ALDH1A1 (0.68) ALDH1A1LMNAMAPTKMT2ATHRB
SCHEMBL14464189 0.75 ALDH1A1 (0.79) ALDH1A1LMNAMAPTKMT2ATHRB

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 ALDH1A1 2263/4885LMNA 2990/4885MAPT 4713/4885

“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.