SCHEMBL378316

SCHEMBL378316

Cc1cc(-c2nc3cc(F)cc(F)c3c(=O)[nH]2)cc(C)c1OCCBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.47
IL17A Q16552 1/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
PARP1 P09874 1/20 0.44
BRD2 P25440 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MMP10 P09238 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL121567 0.90 BRD4 (0.53) BRD4IL17AHDAC1HDAC2HDAC6
SCHEMBL30434094 0.90 BRD4 (0.53) BRD4IL17AHDAC1HDAC2HDAC6
SCHEMBL146531 0.86 BRD4 (0.46) BRD4IL17AHDAC1HDAC2HDAC6
SCHEMBL30434624 0.86 BRD4 (0.46) BRD4IL17AHDAC1HDAC2HDAC6
SCHEMBL147949 0.84 BRD4 (0.43) BRD4IL17AHDAC1HDAC2HDAC6
SCHEMBL377948 0.84 BRD4 (0.68) BRD4IL17AHDAC1HDAC2HDAC6
SCHEMBL30435317 0.84 BRD4 (0.43) BRD4IL17AHDAC1HDAC2HDAC6
SCHEMBL146983 0.82 BRD4 (0.47) BRD4IL17AHDAC1HDAC2HDAC6
SCHEMBL30434721 0.82 BRD4 (0.47) BRD4IL17AHDAC1HDAC2HDAC6
SCHEMBL378058 0.80 BRD4 (0.47) BRD4IL17AHDAC1HDAC2HDAC6

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
EP-2408454-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2024-07-24 EP disclosed
US-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 US disclosed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 US disclosed
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 WO disclosed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US disclosed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 EP disclosed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 WO 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-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 BRD4 744/4885IL17A 264/4885HDAC1 576/4885
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 700/4885IL17A 226/4885HDAC1 582/4885
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 BRD4 10/4885IL17A 4442/4885HDAC1 30/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 BRD4 744/4885IL17A 264/4885HDAC1 576/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 744/4885IL17A 264/4885HDAC1 576/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 BRD4 744/4885IL17A 264/4885HDAC1 576/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 700/4885IL17A 226/4885HDAC1 582/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 700/4885IL17A 226/4885HDAC1 582/4885

“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.