SCHEMBL3586091

SCHEMBL3586091

O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCO

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
KDM4E B2RXH2 3/20 0.61
ALOX5 P09917 1/20 0.59
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
ACHE P22303 1/20 0.59
CA4 P22748 1/20 0.59
PKM P14618 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL8083585 0.90 POLB (0.69) POLBKDM4EALOX5CA12CA1
SCHEMBL13486978 0.88 POLB (0.67) POLBKDM4EALOX5CA12CA1
SCHEMBL28639253 0.87 ALOX5 (0.62) POLBKDM4EALOX5CA12CA1
SCHEMBL8090142 0.84 ACHE (0.62) ALOX5CA12CA1CA2CA9
SCHEMBL4234495 0.84 RAB9A (0.66) KDM4EALOX5CA12CA1CA2
SCHEMBL8091526 0.82 MEN1 (0.58) POLBKDM4EALOX5CA12CA1
SCHEMBL1569306 0.82 ACHE (0.60) POLBALOX5CA12CA1CA2
SCHEMBL2001911 0.81 MEN1 (0.63) POLBKDM4EALOX5CA12CA1
SCHEMBL6956819 0.81 ALOX5 (0.62) KDM4EALOX5CA12CA1CA2
SCHEMBL6207633 0.81 ALOX5 (0.62) POLBKDM4EALOX5CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
US-4324719-A YELLOW TO BLUE SHADES ON NYLON CARPET EASTMAN KODAK COMPANY (US) 1982-04-13 US disclosed
US-4039522-A Phthalimidyl-azo-m-acylamido-n-substituted aniline compounds and polyester fibers dyed therewith EASTMAN KODAK COMPANY (US) 1977-08-02 US disclosed
US-4012372-A MONOAZO DISPERSE DYES EASTMAN KODAK COMPANY (US) 1977-03-15 US disclosed
US-3980634-A Phthalimidyl-azo aniline type compounds and polyester fibers dyed therewith EASTMAN KODAK COMPANY (US) 1976-09-14 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 POLB 4421/4885KDM4E 4075/4885ALOX5 293/4885

“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.