SCHEMBL6492645

SCHEMBL6492645

COc1ccc(C=CC(=O)c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 1/20 1.00
▸ PADI4 Q9UM07 17/20 0.83
▸ ASAH1 Q13510 1/20 0.80
▸ IKBKB O14920 2/20 0.64
▸ CHUK O15111 2/20 0.64
▸ AKT1 P31749 2/20 0.64
▸ AKT2 P31751 2/20 0.64
▸ AKT3 Q9Y243 2/20 0.64

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
SCHEMBL6492641 1.00 MAPK10 (1.00) MAPK10PADI4ASAH1IKBKBCHUK
SCHEMBL19952787 0.91 PADI4 (1.00) MAPK10PADI4ASAH1IKBKBCHUK
SCHEMBL23498282 0.89 MAPK10 (0.81) MAPK10PADI4ASAH1IKBKBCHUK
SCHEMBL29627099 0.89 PADI4 (1.00) MAPK10PADI4ASAH1
SCHEMBL18426912 0.89 PADI4 (1.00) MAPK10PADI4ASAH1
SCHEMBL18426910 0.89 PADI4 (1.00) MAPK10PADI4ASAH1
SCHEMBL30139088 0.89 PADI4 (1.00) MAPK10PADI4ASAH1
SCHEMBL23510917 0.88 MAPK10 (0.78) MAPK10PADI4ASAH1IKBKBCHUK
SCHEMBL23468075 0.85 PADI4 (0.81) MAPK10PADI4ASAH1
SCHEMBL23468073 0.85 PADI4 (1.00) MAPK10PADI4ASAH1IKBKBCHUK

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.

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