SCHEMBL349163

SCHEMBL349163

N=C(N)NCCCCC(=O)ON

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRMT1 Q99873 1/20 0.35
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
ALB P02768 1/20 0.35
EPHX2 P34913 4/20 0.34
LMNA P02545 1/20 0.34
ADRA1A P35348 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32

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
SCHEMBL28192861 0.86 ALOX15 (0.35) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL4093088 0.85 TSHR (0.52) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL4103229 0.83 EPHX2 (0.50) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL437938 0.81 SMN1; SMN2 (0.50) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL6632846 0.81 PRMT1 (0.35) MEN1KMT2APRMT1EPHX2LMNA
SCHEMBL4099875 0.80 CYP1A2 (0.52) CYP1A2KMT2ASMN1; SMN2EPHX2ALDH1A1
SCHEMBL9772161 0.79 SMN1; SMN2 (0.53) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL1299189 0.79 SMN1; SMN2 (0.53) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9772261 0.79 ALOX15 (0.48) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9772254 0.79 SMN1; SMN2 (0.53) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2

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-20180104245-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES HEPALINK (HONG KONG) LIMITED (HK) 2018-04-19 US disclosed
EP-3065730-A1 VASODILATOR FORMULATION AND METHOD OF USE Atp Institute Pty Ltd. (AU) 2016-09-14 EP 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
WO-2015061860-A1 VASODILATOR FORMULATION AND METHOD OF USE ATP INSTITUTE PTY LTD (AU) 2015-05-07 WO 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-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 (6 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 ALOX15 496/4885MEN1 4390/4885CYP1A2 1243/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALOX15 496/4885MEN1 4390/4885CYP1A2 1243/4885
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALOX15 496/4885MEN1 4390/4885CYP1A2 1243/4885
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALOX15 496/4885MEN1 4390/4885CYP1A2 1243/4885
US-20150072955-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALOX15 496/4885MEN1 4390/4885CYP1A2 1243/4885
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 ALOX15 2062/4885MEN1 4262/4885CYP1A2 992/4885

“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.