SCHEMBL378325

SCHEMBL378325

COc1cc(F)cc2nc(-c3ccncc3)[nH]c(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
HDAC3 O15379 6/20 0.45
HDAC4 P56524 6/20 0.45
HDAC1 Q13547 6/20 0.45
HDAC7 Q8WUI4 6/20 0.45
HDAC2 Q92769 6/20 0.45
HDAC10 Q969S8 6/20 0.45
HDAC11 Q96DB2 6/20 0.45

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
SCHEMBL347505 0.86 BRD4 (0.62) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL378385 0.86 BRD4 (0.46) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL378097 0.84 BRD4 (0.50) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL619048 0.83 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL15644777 0.81 ALDH1A1 (0.49) BRD4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL15709362 0.77 TNKS (0.40) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL378166 0.77 BRD4 (0.57) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL20771302 0.76 HPGD (0.57) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL148816 0.76 BRD4 (0.55) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL30434636 0.76 BRD4 (0.55) BRD4HDAC3HDAC4HDAC1HDAC7

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 744/4885ALDH1A1 587/4885HPGD 1083/4885
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 700/4885ALDH1A1 650/4885HPGD 1433/4885
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 BRD4 10/4885ALDH1A1 3920/4885HPGD 2824/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 BRD4 744/4885ALDH1A1 587/4885HPGD 1083/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 744/4885ALDH1A1 587/4885HPGD 1083/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 BRD4 744/4885ALDH1A1 587/4885HPGD 1083/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 700/4885ALDH1A1 650/4885HPGD 1433/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 BRD4 700/4885ALDH1A1 650/4885HPGD 1433/4885

“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.