SCHEMBL2160271

SCHEMBL2160271

O=[N+]([O-])c1ccc2c(c1)N(S)CN2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESPL1 Q14674 3/20 0.44
GAA P10253 2/20 0.42
CAPN9 O14815 1/20 0.41
CASP3 P42574 1/20 0.41
MAPT P10636 4/20 0.41
MCL1 Q07820 2/20 0.41
APAF1 O14727 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
PNMT P11086 4/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL26934237 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2ESPL1GAACAPN9
SCHEMBL7036155 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2ESPL1GAACAPN9
SCHEMBL7033977 0.74 SIRT2 (0.46) ALDH1A1SMN1; SMN2ESPL1GAAMAPT
SCHEMBL7030960 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAAMAPTPNMT
SCHEMBL7035376 0.74 MAPT (0.42) ALDH1A1SMN1; SMN2ESPL1GAACAPN9
SCHEMBL28743060 0.72 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ESPL1GAACAPN9
SCHEMBL7029422 0.72 CASP1 (0.48) ALDH1A1SMN1; SMN2GAACASP3MAPT
SCHEMBL7034434 0.70 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ESPL1GAAMAPT
SCHEMBL24982 0.69 MAPT (0.49) ALDH1A1CAPN9CASP3MAPTPNMT
SCHEMBL200716 0.69 PNMT (0.58) ALDH1A1CAPN9CASP3MAPTPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985771-B2 Skin disorders; aging resistance MONSANTO TECHNOLOGY LLC (US) 2011-07-26 US disclosed
EP-1660080-A1 FURANONE DERIVATIVES Galileo Pharmaceuticals, Inc. (US) 2006-05-31 EP disclosed
EP-1478634-A4 FURANONE DERIVATIVES GALILEO PHARMACEUTICALS INC (US) 2006-02-01 EP disclosed
WO-2005016340-A1 FURANONE DERIVATIVES GALILEO PHARMACEUTICALS, INC. (US) 2005-02-24 WO disclosed
EP-1478634-A1 FURANONE DERIVATIVES Galileo Pharmaceuticals, Inc. (US) 2004-11-24 EP disclosed
US-20040029812-A1 Furanone derivatives MONSANTO TECHNOLOGY LLC 2004-02-12 US disclosed
US-6667330-B2 Cytoprotective; neuroinflammation and neurodegenerative disorders; oxidative stress related conditions GALILEO PHARMACEUTICALS, INC. 2003-12-23 US disclosed
US-20030176361-A1 Furanone derivatives MONSANTO TECHNOLOGY LLC 2003-09-18 US disclosed
WO-2003064403-A1 FURANONE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2003-08-07 WO 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 (2 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-20030176361-A1 Furanone derivatives HSPA9, HSF1, IL1B ALDH1A1 903/4885SMN1; SMN2 107/4885ESPL1 4561/4885
US-20040029812-A1 Furanone derivatives TNF, PPIF, NOX5 ALDH1A1 944/4885SMN1; SMN2 4849/4885ESPL1 2465/4885

“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.