SCHEMBL349176

SCHEMBL349176

Cc1cc(C)c(C#N)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.50
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
VCAM1 P19320 3/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4614782 0.90 GPR35 (0.55) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL11443461 0.84 ALDH1A1 (0.56) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL1343514 0.82 GPR35 (0.44) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL1344004 0.82 GPR35 (0.47) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL3295789 0.82 MAPT (0.43) TSHRCYP3A4ALDH1A1MAPTVCAM1
SCHEMBL25786839 0.78 ALDH1A1 (0.45) GPR35TSHRCYP3A4ALDH1A1VCAM1
SCHEMBL1344362 0.75 KDM4E (0.46) ALDH1A1MAPTKDM4EHPGDTDP1
SCHEMBL23088374 0.75 VCAM1 (0.55) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL9616119 0.75 GPR35 (0.55) GPR35TSHRCYP3A4ALDH1A1MAPT
SCHEMBL700631 0.74 TSHR (0.58) GPR35TSHRALDH1A1MAPTHPGD

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 12 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
WO-2013156869-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 WO 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 GPR35 1487/4885TSHR 3859/4885CYP3A4 2473/4885
US-20130281397-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION BRD4, BMI1, BRPF3 GPR35 3610/4885TSHR 4300/4885CYP3A4 4762/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 GPR35 1487/4885TSHR 3859/4885CYP3A4 2473/4885
US-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 GPR35 1487/4885TSHR 3859/4885CYP3A4 2473/4885
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 GPR35 1487/4885TSHR 3859/4885CYP3A4 2473/4885
US-20160106750-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 GPR35 1487/4885TSHR 3859/4885CYP3A4 2473/4885
US-20150072955-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 GPR35 1487/4885TSHR 3859/4885CYP3A4 2473/4885
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 GPR35 488/4885TSHR 2704/4885CYP3A4 1991/4885

“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.