SCHEMBL1326596

SCHEMBL1326596

O=c1c2ccccc2nc(-c2ccccc2)n1OCCN1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
TSHR P16473 2/20 0.69
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
GAA P10253 1/20 0.58
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
NPY1R P25929 1/20 0.49
HTT P42858 1/20 0.49
KCNH2 Q12809 5/20 0.48
HRH3 Q9Y5N1 5/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADRA1A P35348 4/20 0.47
ALOX15 P16050 2/20 0.47
MAPK1 P28482 1/20 0.47

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
Hydrochloric Acid SCHEMBL15710154 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL16438744 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL28065359 0.77 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL14588663 0.76 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL1326595 0.75 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL14588662 0.75 L3MBTL1 (0.57) ALDH1A1SMN1; SMN2TSHRKMT2AGAA
SCHEMBL31547855 0.71 GRM1 (0.50) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL1463935 0.71 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL1462922 0.71 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL1464107 0.70 EGFR (0.51) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1

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 9 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-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 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-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 (7 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 ALDH1A1 548/4885SMN1; SMN2 3476/4885TSHR 3859/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 587/4885SMN1; SMN2 3917/4885TSHR 4418/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALDH1A1 548/4885SMN1; SMN2 3476/4885TSHR 3859/4885
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALDH1A1 548/4885SMN1; SMN2 3476/4885TSHR 3859/4885
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALDH1A1 548/4885SMN1; SMN2 3476/4885TSHR 3859/4885
US-20150072955-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 ALDH1A1 548/4885SMN1; SMN2 3476/4885TSHR 3859/4885
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 ALDH1A1 1784/4885SMN1; SMN2 4696/4885TSHR 2704/4885

“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.