SCHEMBL4257401

SCHEMBL4257401

COCOc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.59
CYP19A1 P11511 2/20 0.59
MAPT P10636 7/20 0.55
PTGS1 P23219 2/20 0.50
TLR9 Q9NR96 1/20 0.50
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL4257395 1.00 PTGS2 (0.59) PTGS2CYP19A1MAPTPTGS1TLR9
SCHEMBL4262277 0.88 PTGS2 (0.68) PTGS2CYP19A1MAPTPTGS1TLR9
SCHEMBL4262283 0.88 PTGS2 (0.68) PTGS2CYP19A1MAPTPTGS1TLR9
SCHEMBL4260145 0.86 PTGS2 (0.77) PTGS2CYP19A1MAPTPTGS1TLR9
SCHEMBL4259262 0.86 PTGS2 (0.60) PTGS2CYP19A1MAPTPTGS1TLR9
SCHEMBL4259259 0.86 PTGS2 (0.60) PTGS2CYP19A1MAPTPTGS1TLR9
SCHEMBL4260150 0.86 PTGS2 (0.77) PTGS2CYP19A1MAPTPTGS1TLR9
SCHEMBL2766450 0.85 MAPT (0.63) MAPTHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL4255407 0.83 PTGS2 (0.60) PTGS2CYP19A1MAPTPTGS1TLR9
SCHEMBL4255405 0.83 PTGS2 (0.60) PTGS2CYP19A1MAPTPTGS1TLR9

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 PTGS2 181/4885CYP19A1 2245/4885MAPT 2548/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885MAPT 2548/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885MAPT 2548/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885MAPT 2548/4885

“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.