SCHEMBL6480051

SCHEMBL6480051

COc1ccc(C=CC(=O)c2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.60
PADI4 Q9UM07 17/20 0.58
ASAH1 Q13510 1/20 0.58
MAPT P10636 1/20 0.51
FASN P49327 1/20 0.50

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
SCHEMBL6480043 1.00 MAPK10 (0.60) MAPK10PADI4ASAH1MAPTFASN
SCHEMBL6481302 0.88 PADI4 (0.63) MAPK10PADI4ASAH1MAPTFASN
SCHEMBL6481303 0.88 PADI4 (0.63) MAPK10PADI4ASAH1MAPTFASN
SCHEMBL6481461 0.87 PADI4 (0.70) MAPK10PADI4ASAH1MAPTFASN
SCHEMBL6481459 0.87 PADI4 (0.70) MAPK10PADI4ASAH1MAPTFASN
SCHEMBL16111883 0.86 PADI4 (0.68) MAPK10PADI4ASAH1
SCHEMBL16111884 0.86 PADI4 (0.68) MAPK10PADI4ASAH1
SCHEMBL19857730 0.84 PADI4 (0.61) MAPK10PADI4ASAH1MAPTFASN
SCHEMBL19857733 0.84 PADI4 (0.61) MAPK10PADI4ASAH1MAPTFASN
SCHEMBL6481533 0.83 PADI4 (0.62) MAPK10PADI4MAPTFASN

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 4 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-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-09-30 US disclosed
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-06-08 US disclosed
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 (3 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-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 MAPK10 3571/4885PADI4 1/4885ASAH1 468/4885
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 MAPK10 2917/4885PADI4 1662/4885ASAH1 2749/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 MAPK10 3571/4885PADI4 1/4885ASAH1 468/4885

“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.