SCHEMBL6479414

SCHEMBL6479414

COc1ccccc1C=CC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 13/20 0.67
IKBKB O14920 4/20 0.63
CHUK O15111 4/20 0.63
AKT1 P31749 4/20 0.63
AKT2 P31751 4/20 0.63
AKT3 Q9Y243 4/20 0.63
MAPK10 P53779 1/20 0.58
CSF1R P07333 1/20 0.57
ASAH1 Q13510 1/20 0.56

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
SCHEMBL6479411 1.00 PADI4 (0.67) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL17457364 0.87 PADI4 (0.69) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL17457362 0.87 PADI4 (0.69) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL6489837 0.87 PADI4 (0.71) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL6489833 0.87 PADI4 (0.71) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL16111883 0.87 PADI4 (0.68) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL245342 0.87 PADI4 (0.68) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL245343 0.87 PADI4 (0.68) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL16111884 0.87 PADI4 (0.68) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL6481303 0.85 PADI4 (0.63) 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 13 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
EP-2968360-B1 QUINOLINONE DERIVATIVES FOR THE INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS CONVERGENE LLC (US) 2021-01-20 EP disclosed
US-10717739-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2020-07-21 US disclosed
US-20190345162-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins CONVERGENE LLC 2019-11-14 US disclosed
US-10266536-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2019-04-23 US disclosed
US-20180134715-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins CONVERGENE LLC 2018-05-17 US disclosed
US-9695179-B2 Methods and compositions for inhibition of bromodomain-containing proteins CONVERGENE LLC (US) 2017-07-04 US disclosed
US-20160024096-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS CONVERGENE LLC (US) 2016-01-28 US disclosed
EP-2968360-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS ConverGene LLC (US) 2016-01-20 EP disclosed
WO-2014159837-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS CONVERGENE LLC (US) 2014-10-02 WO 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 (8 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-10717739-B2 Methods and compositions for inhibition of bromodomain-containing proteins BRPF3, BRD3, BRDT PADI4 3814/4885IKBKB 1147/4885CHUK 1154/4885
US-20190345162-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins BRPF3, BRD3, BRDT PADI4 3814/4885IKBKB 1147/4885CHUK 1154/4885
US-10266536-B2 Methods and compositions for inhibition of bromodomain-containing proteins BRPF3, BRD3, BRDT PADI4 3814/4885IKBKB 1147/4885CHUK 1154/4885
US-20180134715-A1 Methods and Compositions for Inhibition of Bromodomain-Containing Proteins BRPF3, BRD3, BRDT PADI4 3814/4885IKBKB 1147/4885CHUK 1154/4885
US-20210299115-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 PADI4 1/4885IKBKB 1218/4885CHUK 923/4885
US-20160024096-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, BRD3, BRDT PADI4 3814/4885IKBKB 1147/4885CHUK 1154/4885
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.