SCHEMBL6480895

SCHEMBL6480895

O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1c(-c2ccccc2)c2ccc([N+](=O)[O-])cc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 19/20 0.56
MAPT P10636 1/20 0.55
MAOB P27338 1/20 0.55
ASAH1 Q13510 1/20 0.52

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
SCHEMBL6480899 1.00 PADI4 (0.56) PADI4MAPTMAOBASAH1
SCHEMBL6481459 0.87 PADI4 (0.70) PADI4MAPTASAH1
SCHEMBL6481461 0.87 PADI4 (0.70) PADI4MAPTASAH1
SCHEMBL6059369 0.87 PADI4 (0.67) PADI4MAPTMAOB
SCHEMBL6059367 0.87 PADI4 (0.67) PADI4MAPTMAOB
SCHEMBL6480746 0.87 PADI4 (0.67) PADI4
SCHEMBL6480743 0.87 PADI4 (0.67) PADI4
SCHEMBL6481535 0.85 PADI4 (0.62) PADI4MAPT
SCHEMBL6481533 0.85 PADI4 (0.62) PADI4MAPT
SCHEMBL6480043 0.79 MAPK10 (0.60) PADI4MAPTASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165053-A1 Substituted4-aryl-3-(3-aryl-1-oxo-2-propenyl)-2(1h)-quinolinones and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2005-07-28 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 (1 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-20050165053-A1 Substituted4-aryl-3-(3-aryl-1-oxo-2-propenyl)-2(1h)-quinolinones and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, CASP2 PADI4 1662/4885MAPT 4473/4885MAOB 2479/4885

“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.