SCHEMBL150378

SCHEMBL150378

COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCOS(C)(=O)=O)c(C)c3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.68
IL17A Q16552 1/20 0.68
HDAC1 Q13547 9/20 0.66
PARP1 P09874 2/20 0.66
HDAC3 O15379 7/20 0.65
HDAC4 P56524 7/20 0.65
HDAC7 Q8WUI4 7/20 0.65
HDAC2 Q92769 7/20 0.65
HDAC10 Q969S8 7/20 0.65
HDAC11 Q96DB2 7/20 0.65
HDAC8 Q9BY41 7/20 0.65
HDAC6 Q9UBN7 7/20 0.65
HDAC9 Q9UKV0 7/20 0.65
HDAC5 Q9UQL6 7/20 0.65
BRD1 O95696 1/20 0.50
BRD2 P25440 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
SCHEMBL347354 0.89 BRD4 (0.74) BRD4IL17AHDAC1PARP1HDAC3
SCHEMBL30052937 0.89 BRD4 (0.74) BRD4IL17AHDAC1PARP1HDAC3
SCHEMBL21524680 0.87 BRD4 (0.72) BRD4IL17AHDAC1PARP1HDAC3
Apabetalone SCHEMBL145019 0.87 BRD4 (0.84) BRD4IL17AHDAC1PARP1HDAC3
SCHEMBL17930617 0.87 BRD4 (0.74) BRD4IL17AHDAC1PARP1HDAC3
Apabetalone SCHEMBL29352238 0.87 BRD4 (0.84) BRD4IL17AHDAC1PARP1HDAC3
SCHEMBL146429 0.87 BRD4 (0.67) BRD4IL17AHDAC1PARP1HDAC3
SCHEMBL29016721 0.86 BRD4 (0.71) BRD4IL17AHDAC1PARP1HDAC3
SCHEMBL23744974 0.86 BRD4 (0.70) BRD4IL17AHDAC1PARP1HDAC3
SCHEMBL146056 0.86 BRD4 (0.73) BRD4IL17AHDAC1PARP1HDAC3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3431086-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2020-06-17 EP disclosed
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2020-04-30 US disclosed
EP-3431086-A1 NOVEL ANTI-INFLAMMATORY AGENTS Resverlogix Corp. (CA) 2019-01-23 EP disclosed
EP-2421533-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2018-10-17 EP disclosed
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2017-11-23 US disclosed
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2017-11-16 US disclosed
US-9757368-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2017-09-12 US disclosed
EP-2346837-B1 METHODS OF PREPARING QUINAZOLINONE DERIVATIVES RESVERLOGIX CORP (CA) 2015-03-04 EP disclosed
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-03-08 US disclosed
EP-2421533-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-02-29 EP disclosed
US-8114995-B2 Methods of preparing quinazolinone derivatives RESVERLOGIX CORP. (CA) 2012-02-14 US disclosed
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 WO disclosed
US-20100004448-A1 METHODS OF PREPARING QUINAZOLINONE DERIVATIVES RESVERLOGIX CORP. (CA) 2010-01-07 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-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 192/4885IL17A 26/4885HDAC1 639/4885
US-20100004448-A1 METHODS OF PREPARING QUINAZOLINONE DERIVATIVES APOB, APOL1, LDLR BRD4 1306/4885IL17A 3575/4885HDAC1 1369/4885
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 BRD4 10/4885IL17A 4442/4885HDAC1 30/4885
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 192/4885IL17A 26/4885HDAC1 639/4885
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 192/4885IL17A 26/4885HDAC1 639/4885
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 192/4885IL17A 26/4885HDAC1 639/4885

“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.