SCHEMBL6481546

SCHEMBL6481546

O=C(C=Cc1ccc(Cl)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 14/20 0.79
IKBKB O14920 4/20 0.70
CHUK O15111 4/20 0.70
AKT1 P31749 4/20 0.70
AKT2 P31751 4/20 0.70
AKT3 Q9Y243 4/20 0.70
MAPK10 P53779 1/20 0.66
ASAH1 Q13510 1/20 0.62

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
SCHEMBL6481544 1.00 PADI4 (0.79) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL23511031 0.98 PADI4 (0.76) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL6059498 0.97 PADI4 (0.81) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL6059500 0.97 PADI4 (0.81) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL6493833 0.94 PADI4 (0.81) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL6493835 0.94 PADI4 (0.81) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL23510889 0.94 PADI4 (0.74) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL6495731 0.94 PADI4 (0.79) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL6491632 0.94 PADI4 (0.74) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL23511044 0.94 PADI4 (0.78) PADI4IKBKBCHUKAKT1AKT2

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 7 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-10577349-B2 Quinolinones as inhibitors of translation initiation complex Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-03 US disclosed
US-20180044324-A1 Quinolinones as Inhibitors of Translation Initiation Complex Sanford Burnham Prebys Medical Discovery Institute 2018-02-15 US disclosed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 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 (6 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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE PADI4 1762/4885IKBKB 693/4885CHUK 126/4885
US-20180044324-A1 Quinolinones as Inhibitors of Translation Initiation Complex EIF4E, EIF4A1, EIF4A2 PADI4 4191/4885IKBKB 1115/4885CHUK 724/4885
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 PADI4 1/4885IKBKB 1218/4885CHUK 923/4885
US-10577349-B2 Quinolinones as inhibitors of translation initiation complex EIF4E, EIF4A1, EIF4A2 PADI4 4191/4885IKBKB 1115/4885CHUK 724/4885
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 PADI4 1662/4885IKBKB 2485/4885CHUK 723/4885
US-11026937-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 PADI4 1/4885IKBKB 1218/4885CHUK 923/4885

“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.