SCHEMBL6481302

SCHEMBL6481302

COc1ccccc1/C=C/C(=O)c1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH]c1=O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PADI4 Q9UM07 15/20 0.63
▸ MAPK10 P53779 1/20 0.55
▸ MAPT P10636 1/20 0.53
▸ ASAH1 Q13510 1/20 0.52
▸ FASN P49327 1/20 0.52
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ IKBKB O14920 1/20 0.48
▸ CHUK O15111 1/20 0.48
▸ AKT1 P31749 1/20 0.48
▸ AKT2 P31751 1/20 0.48
▸ AKT3 Q9Y243 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
SCHEMBL6481303 1.00 PADI4 (0.63) PADI4MAPK10MAPTASAH1FASN
SCHEMBL6480043 0.88 MAPK10 (0.60) PADI4MAPK10MAPTASAH1FASN
SCHEMBL6480051 0.88 MAPK10 (0.60) PADI4MAPK10MAPTASAH1FASN
SCHEMBL6479411 0.85 PADI4 (0.67) PADI4MAPK10ASAH1IKBKBCHUK
SCHEMBL6479414 0.85 PADI4 (0.67) PADI4MAPK10ASAH1IKBKBCHUK
SCHEMBL6481461 0.85 PADI4 (0.70) PADI4MAPK10MAPTASAH1FASN
SCHEMBL6481459 0.85 PADI4 (0.70) PADI4MAPK10MAPTASAH1FASN
SCHEMBL19857733 0.80 PADI4 (0.61) PADI4MAPK10MAPTASAH1FASN
SCHEMBL19857730 0.80 PADI4 (0.61) PADI4MAPK10MAPTASAH1FASN
SCHEMBL6481535 0.79 PADI4 (0.62) PADI4MAPK10MAPTFASNIKBKB

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 2 patents. 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 claimed
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 1662/4885MAPK10 2917/4885MAPT 4473/4885

“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.

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