SCHEMBL3586952

SCHEMBL3586952

CN1CCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
ATM Q13315 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
HIF1A Q16665 1/20 0.43
HTR1A P08908 1/20 0.42
DRD1 P21728 1/20 0.42

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
SCHEMBL28435158 0.95 GAA (0.47) ROCK1L3MBTL1ALDH1A1GAAMAPT
SCHEMBL2312739 0.90 ROCK1 (0.51) ROCK1L3MBTL1ALDH1A1GAAMAPT
SCHEMBL3481133 0.88 ALDH1A1 (0.55) L3MBTL1ALDH1A1GAAMAPTKMT2A
SCHEMBL2061992 0.83 ALDH1A1 (0.51) L3MBTL1ALDH1A1GAAMAPTKMT2A
SCHEMBL16274458 0.81 ALDH1A1 (0.54) ROCK1L3MBTL1ALDH1A1GAAMAPT
SCHEMBL31110265 0.81 ROCK1 (0.46) ROCK1L3MBTL1ALDH1A1GAAMAPT
SCHEMBL29767731 0.80 NLRP3 (0.57) ROCK1L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL3585115 0.80 NOTUM (0.56) L3MBTL1ALDH1A1GAAMAPTKMT2A
SCHEMBL30575716 0.80 NOTUM (0.56) L3MBTL1ALDH1A1GAAMAPTKMT2A
SCHEMBL2675480 0.79 MAPT (0.48) ROCK1L3MBTL1ALDH1A1MAPTKMT2A

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989139-B2 Azo-metal chelate dye and optical recording medium MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2011-08-02 US disclosed
US-7989139-B2 Azo-metal chelate dye and optical recording medium MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2011-08-02 US disclosed
EP-1666538-B1 AZO METAL CHELATE COLORING MATTER AND OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO LTD (JP) 2011-06-08 EP disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7642036-B2 Azo-metal chelate dye and optical recording medium MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2010-01-05 US disclosed
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. 2009-10-22 US disclosed
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. 2009-10-22 US disclosed
US-20090246687-A1 AZO-METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO. LTD. (JP) 2009-10-01 US disclosed
US-20090246687-A1 AZO-METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO. LTD. (JP) 2009-10-01 US disclosed
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-02-09 US disclosed
US-20050272931-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1463714-A4 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC (US) 2005-10-19 EP disclosed
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-10-13 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
EP-1463714-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2004-10-06 EP disclosed
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2003-10-16 US disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
WO-2003049702-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2003-06-19 WO disclosed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 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 (6 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-20050272931-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ROCK1 1440/4885L3MBTL1 4483/4885ALDH1A1 3238/4885
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ROCK1 1440/4885L3MBTL1 4483/4885ALDH1A1 3238/4885
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ROCK1 3959/4885L3MBTL1 3859/4885ALDH1A1 1265/4885
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ROCK1 1184/4885L3MBTL1 4494/4885ALDH1A1 3105/4885
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ROCK1 1440/4885L3MBTL1 4483/4885ALDH1A1 3238/4885
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 ROCK1 1440/4885L3MBTL1 4483/4885ALDH1A1 3238/4885

“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.