SCHEMBL4263095

SCHEMBL4263095

COc1cc(Br)c(/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.68
CYP19A1 P11511 3/20 0.68
TLR9 Q9NR96 1/20 0.64
KDM1A O60341 1/20 0.60
PTGS1 P23219 2/20 0.57
KRAS P01116 1/20 0.50
PRKDC P78527 1/20 0.47
NFE2L2 Q16236 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
AMY1A P0DUB6 1/20 0.46
MAPT P10636 2/20 0.45
APP P05067 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL4263101 1.00 PTGS2 (0.68) PTGS2CYP19A1TLR9KDM1APTGS1
SCHEMBL3054757 0.87 TLR9 (0.76) PTGS2CYP19A1TLR9PTGS1KRAS
SCHEMBL3054759 0.87 TLR9 (0.76) PTGS2CYP19A1TLR9PTGS1KRAS
SCHEMBL4262492 0.85 TLR9 (0.66) PTGS2CYP19A1TLR9PTGS1KRAS
SCHEMBL4262494 0.85 TLR9 (0.66) PTGS2CYP19A1TLR9PTGS1KRAS
SCHEMBL3676116 0.82 TLR9 (0.58) PTGS2CYP19A1TLR9KDM1APTGS1
SCHEMBL3676115 0.82 TLR9 (0.58) PTGS2CYP19A1TLR9KDM1APTGS1
SCHEMBL13018896 0.81 PTGS2 (0.78) PTGS2CYP19A1TLR9PTGS1KRAS
SCHEMBL6474599 0.81 PTGS2 (1.00) PTGS2CYP19A1TLR9PTGS1KRAS
SCHEMBL4785927 0.81 PTGS2 (1.00) PTGS2CYP19A1TLR9PTGS1KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2006-08-10 US disclosed
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 EP disclosed
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER INC. 2005-06-30 US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 US disclosed
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US disclosed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 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 (4 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-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885TLR9 2160/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885TLR9 2160/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885TLR9 2160/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885TLR9 2160/4885

“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.