SCHEMBL347828

SCHEMBL347828

COc1cc(OC)c2c(=O)nc(-c3cc(C)c(OC(C)=O)c(C)c3)n(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.46
HDAC6 Q9UBN7 6/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
IL17A Q16552 1/20 0.37
PARP1 P09874 2/20 0.36
CYP19A1 P11511 1/20 0.36
NQO2 P16083 1/20 0.36
HDAC10 Q969S8 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
NCOR1 O75376 1/20 0.34
TUBB4A P04350 1/20 0.34

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
SCHEMBL348025 0.85 CYP19A1 (0.40) BRD4HDAC6HDAC1HDAC3HDAC2
SCHEMBL27851658 0.72 BRD4 (0.78) BRD4HDAC6HDAC1HDAC3HDAC2
SCHEMBL348539 0.71 BRD4 (0.49) BRD4
SCHEMBL6817528 0.69 HTT (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3326825 0.66 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12445354 0.65 HTT (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL349170 0.63 XDH (0.44) BRD4IL17ACYP19A1NQO2PDE3B
SCHEMBL13954030 0.61 POLB (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8371102 0.61 TNFSF11 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15266000 0.60 ALOX5 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2021-11-25 US disclosed
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2020-11-12 US disclosed
US-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2018-04-19 US disclosed
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2016-04-21 US disclosed
US-9199990-B2 Compounds for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2015-12-01 US disclosed
US-20150072955-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (US) 2015-03-12 US disclosed
US-8889698-B2 Compounds for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2014-11-18 US disclosed
US-20130281397-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2012-01-19 US disclosed
US-8053440-B2 Compounds for the prevention and treatment of cardiovascular diseases Resverlogix Corporation (CA) 2011-11-08 US disclosed
US-20080188467-A1 To regulate the expression of apolipoprotein A-I; atherosclerosis; improved pharmacological properties; 3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxyisoquinolin-1(2H)-one; to reduce cholesterol levels; agonists HEPALINK (HONG KONG) LIMITED (HK) 2008-08-07 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 (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-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 BRD4 1910/4885HDAC6 1169/4885HDAC1 510/4885
US-20130281397-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION BRD4, BMI1, BRPF3 BRD4 1/4885HDAC6 857/4885HDAC1 41/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 BRD4 1910/4885HDAC6 1169/4885HDAC1 510/4885
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 BRD4 1910/4885HDAC6 1169/4885HDAC1 510/4885
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 BRD4 1910/4885HDAC6 1169/4885HDAC1 510/4885
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 BRD4 1910/4885HDAC6 1169/4885HDAC1 510/4885
US-20150072955-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 BRD4 1910/4885HDAC6 1169/4885HDAC1 510/4885
US-20080188467-A1 To regulate the expression of apolipoprotein A-I; atherosclerosis; improved pharmacological properties; 3-(4-hydroxy-3,5-dimethylphenyl)-6,8-dimethoxyisoquinolin-1(2H)-one; to reduce cholesterol levels; agonists APOB, LDLR, APOL1 BRD4 693/4885HDAC6 2423/4885HDAC1 1272/4885

“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.