SCHEMBL121780

SCHEMBL121780

COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCCNC(C)=O)c(C)c3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.58
BRD4 O60885 11/20 0.58
HDAC3 O15379 10/20 0.58
HDAC4 P56524 10/20 0.58
HDAC7 Q8WUI4 10/20 0.58
HDAC2 Q92769 10/20 0.58
HDAC10 Q969S8 10/20 0.58
HDAC11 Q96DB2 10/20 0.58
HDAC8 Q9BY41 10/20 0.58
HDAC6 Q9UBN7 10/20 0.58
HDAC9 Q9UKV0 10/20 0.58
HDAC5 Q9UQL6 10/20 0.58
PARP1 P09874 2/20 0.57
BRD1 O95696 1/20 0.56
BRD2 P25440 1/20 0.56
IL17A Q16552 1/20 0.53

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
SCHEMBL30434491 1.00 HDAC1 (0.58) HDAC1BRD4HDAC3HDAC4HDAC7
SCHEMBL147402 0.91 HDAC1 (0.56) HDAC1BRD4HDAC3HDAC4HDAC7
SCHEMBL148581 0.89 BRD4 (0.72) HDAC1BRD4HDAC3HDAC4HDAC7
SCHEMBL30052713 0.89 BRD4 (0.72) HDAC1BRD4HDAC3HDAC4HDAC7
SCHEMBL22644733 0.88 HDAC1 (0.55) HDAC1BRD4HDAC3HDAC4HDAC7
SCHEMBL30053829 0.88 BRD4 (0.71) HDAC1BRD4HDAC3HDAC4HDAC7
SCHEMBL150305 0.88 BRD4 (0.71) HDAC1BRD4HDAC3HDAC4HDAC7
SCHEMBL378243 0.86 BRD4 (0.63) HDAC1BRD4HDAC3HDAC4HDAC7
SCHEMBL145010 0.86 HDAC1 (0.54) HDAC1BRD4HDAC3HDAC4HDAC7
SCHEMBL378378 0.85 BRD4 (0.58) HDAC1BRD4HDAC3HDAC4HDAC7

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3431086-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2020-06-17 EP claimed
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2020-04-30 US claimed
EP-3431086-A1 NOVEL ANTI-INFLAMMATORY AGENTS Resverlogix Corp. (CA) 2019-01-23 EP claimed
EP-2421533-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2018-10-17 EP claimed
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2017-11-23 US claimed
US-9757368-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2017-09-12 US claimed
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US claimed
CN-102458405-A Novel anti-inflammatory agents RESVERLOGIX CORP 2012-05-16 CN claimed
US-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-03-08 US claimed
EP-2421533-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-02-29 EP claimed
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 WO claimed
CN-107252429-B Novel anti-inflammatory agent 雷斯韦洛吉克斯公司 2023-06-16 CN disclosed
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
US-20120059002-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-03-08 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
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 WO disclosed
WO-2010123975-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-10-28 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 (4 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 HDAC1 639/4885BRD4 192/4885HDAC3 1622/4885
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 HDAC1 30/4885BRD4 10/4885HDAC3 54/4885
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 HDAC1 639/4885BRD4 192/4885HDAC3 1622/4885
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 HDAC1 639/4885BRD4 192/4885HDAC3 1622/4885

“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.