SCHEMBL347967

SCHEMBL347967

Cc1cc(C#N)cc(C)c1OCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
SCN8A Q9UQD0 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LTA4H P09960 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ESR1 P03372 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL24942168 0.92 KDM4E (0.49) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL28412531 0.79 HTR1A (0.41) KDM4EALDH1A1KMT2AMAPTSCN8A
SCHEMBL8552558 0.79 SCN8A (0.40) ALDH1A1CYP1A2CYP2D6KMT2AMAPT
SCHEMBL8554425 0.77 SCN8A (0.43) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL12127914 0.77 MAPT (0.49) MAPTHRH3LTA4HKEAP1NFE2L2
SCHEMBL14578154 0.77 KDM4E (0.49) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL1811126 0.77 KDM4E (0.49) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL29888806 0.77 KDM4E (0.67) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL13480569 0.76 GPR35 (0.41) KDM4EALDH1A1CYP1A2MAPTSCN8A
SCHEMBL8137092 0.75 SCN8A (0.41) KDM4EALDH1A1MEN1CYP1A2CYP2D6

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 KDM4E 4404/4885ALDH1A1 548/4885MEN1 4390/4885
US-20130281397-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION BRD4, BMI1, BRPF3 KDM4E 202/4885ALDH1A1 4671/4885MEN1 1154/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 KDM4E 4404/4885ALDH1A1 548/4885MEN1 4390/4885
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 KDM4E 4404/4885ALDH1A1 548/4885MEN1 4390/4885
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 KDM4E 4404/4885ALDH1A1 548/4885MEN1 4390/4885
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 KDM4E 4404/4885ALDH1A1 548/4885MEN1 4390/4885
US-20150072955-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 KDM4E 4404/4885ALDH1A1 548/4885MEN1 4390/4885
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 KDM4E 2993/4885ALDH1A1 1784/4885MEN1 4262/4885

“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.