SCHEMBL4262091

SCHEMBL4262091

O=[N+]([O-])c1ccc(C=Cc2ccc(O)c(Cl)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.64
PTGS1 P23219 2/20 0.61
CYP19A1 P11511 2/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HSPD1 P10809 1/20 0.54
HSPE1 P61604 1/20 0.54
MAOB P27338 3/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
APP P05067 2/20 0.51
MAPT P10636 1/20 0.51
FBP1 P09467 1/20 0.50
BACE1 P56817 1/20 0.50
MAOA P21397 1/20 0.49
KDM4A O75164 1/20 0.48
KDM4B O94953 1/20 0.48

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
SCHEMBL4262084 1.00 PTGS2 (0.64) PTGS2PTGS1CYP19A1MEN1KMT2A
SCHEMBL3672518 0.85 PTGS2 (0.75) PTGS2PTGS1CYP19A1MEN1KMT2A
SCHEMBL6476166 0.85 KDM4A (0.64) PTGS2PTGS1CYP19A1MAOBNPC1
SCHEMBL6474933 0.85 KDM4A (0.64) PTGS2PTGS1CYP19A1MAOBNPC1
SCHEMBL3672520 0.85 PTGS2 (0.75) PTGS2PTGS1CYP19A1MEN1KMT2A
SCHEMBL25199670 0.84 HSPD1 (0.70) HSPD1HSPE1MAOBRAB9AMAPT
SCHEMBL30383638 0.84 HSPD1 (0.70) HSPD1HSPE1MAOBRAB9AMAPT
SCHEMBL31233315 0.84 HSPD1 (0.70) HSPD1HSPE1MAOBRAB9AMAPT
SCHEMBL25209531 0.84 HSPD1 (0.70) HSPD1HSPE1MAOBRAB9AMAPT
SCHEMBL4257372 0.82 PTGS2 (0.66) PTGS2PTGS1CYP19A1MEN1KMT2A

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 181/4885PTGS1 183/4885CYP19A1 2245/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885CYP19A1 2245/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885CYP19A1 2245/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885PTGS1 183/4885CYP19A1 2245/4885

“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.