SCHEMBL312142

SCHEMBL312142

COc1ccc(-c2cc3ccccc3cn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 1.00
RAB9A P51151 8/20 1.00
CASP3 P42574 2/20 0.75
SENP7 Q9BQF6 2/20 0.75
IDO1 P14902 3/20 0.57
TDO2 P48775 3/20 0.57
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
DYRK1A Q13627 1/20 0.52
ACACA Q13085 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
RXFP1 Q9HBX9 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
SCHEMBL30179137 1.00 NPC1 (1.00) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL2428152 0.86 NPC1 (1.00) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL3830664 0.85 NPC1 (0.91) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL18774819 0.84 NPC1 (0.72) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL14102726 0.83 NPC1 (0.71) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL3825642 0.83 NPC1 (0.71) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL2458692 0.83 NPC1 (0.76) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL3825612 0.83 RAB9A (0.71) NPC1RAB9ACASP3SENP7NFKB1
SCHEMBL14102879 0.83 NPC1 (1.00) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL324180 0.82 NPC1 (1.00) NPC1RAB9ACASP3SENP7

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10125226-B2 Scale-up process of bifunctionalized triblock copolymers with secondary and tertiary amines, with application in dewatering and desalting of heavy crude oils INSTITUTO MEXICANO DEL PETROLEO (MX) 2018-11-13 US claimed
US-20140364566-A1 SCALE-UP PROCESS OF BIFUNCTIONALIZED TRIBLOCK COPOLYMERS WITH SECONDARY AND TERTIARY AMINES, WITH APPLICATION IN DEWATERING AND DESALTING OF HEAVY CRUDE OILS INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-12-11 US claimed
CN-109678798-B Synthetic method of isoquinoline compound 湖南科技大学 2023-01-17 CN disclosed
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
CN-106588767-B A method of tandem reaction, which is catalyzed, in water phase synthesizes isoquinolinone derivatives 南阳师范学院 2019-07-26 CN disclosed
CN-109678798-A A kind of synthetic method of isoquinoline compound 湖南科技大学 2019-04-26 CN disclosed
US-10167388-B2 Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes INSTITUTO MEXICANO DEL PETROLEO (MX) 2019-01-01 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-20170327686-A1 BLOCK COPOLYMERS, SYNTHESIS AND APPLICATION AS DEHYDRATING AND DESALTING OF HEAVY CRUDES MEXICANO INST PETROL (MX) 2017-11-16 US disclosed
US-9752084-B2 Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes INSTITUTO MEXICANO DEL PETROLEO (MX) 2017-09-05 US disclosed
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-10-15 US disclosed
CN-101365446-A Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery via implantable medical devices RESVERLOGIX CORP (CA) 2009-02-11 CN disclosed
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices RESVERLOGIX CORP. (CA) 2009-01-29 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
EP-1909788-A2 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES RESVERLOGIX CORP. (CA) 2008-04-16 EP disclosed
EP-1838296-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2007-10-03 EP disclosed
WO-2007016525-A2 PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF COMPLEX DISEASES AND THEIR DELIVERY BY INSERTABLE MEDICAL DEVICES RESVERLOGIX CORP. (CA) 2007-02-08 WO disclosed
US-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases HEPALINK (HONG KONG) LIMITED (HK) 2006-09-14 US disclosed
WO-2006045096-A2 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2006-04-27 WO 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 (9 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 NPC1 42/4885RAB9A 3704/4885CASP3 991/4885
US-20060205767-A1 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases APOB, APOL1, FABP3 NPC1 26/4885RAB9A 3153/4885CASP3 595/4885
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 NPC1 26/4885RAB9A 3153/4885CASP3 595/4885
US-20210361656-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 NPC1 42/4885RAB9A 3704/4885CASP3 991/4885
US-20090029987-A1 Pharmaceutical Compositions for the Prevention and Treatment of Complex Diseases and Their Delivery by Insertable Medical Devices VCAM1, ICAM1, TGFB1 NPC1 794/4885RAB9A 4410/4885CASP3 1445/4885
US-20200352946-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 NPC1 42/4885RAB9A 3704/4885CASP3 991/4885
US-10167388-B2 Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes DEGS1, AQP1, AQP3 NPC1 4636/4885RAB9A 4573/4885CASP3 3002/4885
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 NPC1 56/4885RAB9A 3361/4885CASP3 3652/4885
US-20170327686-A1 BLOCK COPOLYMERS, SYNTHESIS AND APPLICATION AS DEHYDRATING AND DESALTING OF HEAVY CRUDES DEGS1, AQP1, AQP3 NPC1 4636/4885RAB9A 4573/4885CASP3 3002/4885

“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.