SCHEMBL4261744

SCHEMBL4261744

COCOc1cc(OC)c(Br)cc1/C=C/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.57
PTGS2 P35354 6/20 0.53
CYP19A1 P11511 2/20 0.53
MAPT P10636 6/20 0.53
PTGS1 P23219 2/20 0.48
KRAS P01116 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
HTR2A P28223 1/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NFE2L2 Q16236 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
SCHEMBL4261747 1.00 TLR9 (0.57) TLR9PTGS2CYP19A1MAPTPTGS1
SCHEMBL4262494 0.89 TLR9 (0.66) TLR9PTGS2CYP19A1MAPTPTGS1
SCHEMBL4262492 0.89 TLR9 (0.66) TLR9PTGS2CYP19A1MAPTPTGS1
SCHEMBL3676115 0.81 TLR9 (0.58) TLR9PTGS2CYP19A1MAPTPTGS1
SCHEMBL3676116 0.81 TLR9 (0.58) TLR9PTGS2CYP19A1MAPTPTGS1
SCHEMBL4260150 0.81 PTGS2 (0.77) TLR9PTGS2CYP19A1MAPTPTGS1
SCHEMBL4260145 0.81 PTGS2 (0.77) TLR9PTGS2CYP19A1MAPTPTGS1
SCHEMBL3671491 0.81 PTGS2 (0.67) TLR9PTGS2CYP19A1MAPTPTGS1
SCHEMBL3671488 0.81 PTGS2 (0.67) TLR9PTGS2CYP19A1MAPTPTGS1
SCHEMBL6436132 0.80 MAPT (0.62) TLR9PTGS2CYP19A1MAPTPTGS1

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 5 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
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
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 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 (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 TLR9 2160/4885PTGS2 181/4885CYP19A1 2245/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 TLR9 2160/4885PTGS2 181/4885CYP19A1 2245/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 TLR9 2160/4885PTGS2 181/4885CYP19A1 2245/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 TLR9 2160/4885PTGS2 181/4885CYP19A1 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.