SCHEMBL3583189

SCHEMBL3583189

O=CC(=CNc1cccc(CO)c1)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
HTT P42858 1/20 0.38
IKBKB O14920 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
ALDH1A1 P00352 3/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NHERF1 O14745 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3583186 1.00 TRPV1 (0.44) TRPV1HTTIKBKBCASP3SENP7
SCHEMBL14159479 0.79 SMN1; SMN2 (0.54) HTTALDH1A1SMN1; SMN2PKMCYP1A2
SCHEMBL12426372 0.79 SMN1; SMN2 (0.54) HTTALDH1A1SMN1; SMN2PKMCYP1A2
SCHEMBL2812135 0.77 KMT2A (0.50) TRPV1HTTALDH1A1SMN1; SMN2MEN1
SCHEMBL2813557 0.77 MAPT (0.45) HTTALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL10328177 0.77 MAPT (0.45) HTTALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2813556 0.77 MAPT (0.45) HTTALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2812134 0.77 KMT2A (0.50) TRPV1HTTALDH1A1SMN1; SMN2MEN1
SCHEMBL10327789 0.77 KMT2A (0.50) TRPV1HTTALDH1A1SMN1; SMN2MEN1
SCHEMBL14401880 0.75 ALDH1A1 (0.48) TRPV1IKBKBALDH1A1PDK1PDK2

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 14 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-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 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
CN-101171015-A Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS INC (US) 2008-04-30 CN disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
EP-1863757-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-12-12 EP disclosed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 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-2006099410-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-21 WO disclosed
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-09-14 US disclosed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 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 (5 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 TRPV1 1/4885HTT 3273/4885IKBKB 1339/4885
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TRPV1 1/4885HTT 3330/4885IKBKB 1225/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TRPV1 1/4885HTT 3330/4885IKBKB 1225/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TRPV1 1/4885HTT 3330/4885IKBKB 1225/4885
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TRPV1 1/4885HTT 3330/4885IKBKB 1225/4885

“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.