SCHEMBL6202925

SCHEMBL6202925

C=COc1ncccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
METAP2 P50579 1/20 0.36
NPC1 O15118 2/20 0.35
PLAU P00749 1/20 0.35
PSMD14 O00487 1/20 0.35
COPS5 Q92905 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2A6 P11509 1/20 0.35
HTR1A P08908 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL6972045 0.77
SCHEMBL29497427 0.74
SCHEMBL129117 0.74
SCHEMBL7819668 0.73 THRB (0.38) NOS3NOS1NOS2NPC1KDM4E
SCHEMBL18204567 0.72
SCHEMBL131465 0.71 PDE1A (0.46) NOS3NOS1NOS2NPC1KDM4E
SCHEMBL9474876 0.71 NOS3 (0.45) NOS3NOS1NOS2METAP2NPC1
SCHEMBL22061929 0.69 KMT2A (0.45) NOS3NOS1NOS2METAP2KDM4E
SCHEMBL29716346 0.69 KMT2A (0.45) NOS3NOS1NOS2METAP2KDM4E
SCHEMBL2614923 0.69 LRRK2 (0.45) NOS3NOS1NOS2METAP2NPC1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002536440-A 2002-10-29 JP claimed
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP claimed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO claimed
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
EP-1465885-A4 NOVEL ALKYL/ARYL HYDROXY OR KETO THIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE PHARMACIA CORP (US) 2005-04-27 EP disclosed
US-6852753-B2 Alkyl/aryl hydroxy or keto thiepine compounds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake PHARMACIA CORPORATION (US) 2005-02-08 US disclosed
EP-1448546-A4 NOVEL MONO- AND DI-FLUORINATED BENZOTHIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE SEARLE LLC (US) 2005-02-02 EP disclosed
EP-1465885-A2 NOVEL ALKYL/ARYL HYDROXY OR KETO THIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE Pharmacia Corporation (US) 2004-10-13 EP disclosed
US-20040176438-A1 Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake G.D. SEARLE, LLC 2004-09-09 US disclosed
EP-1448546-A1 NOVEL MONO- AND DI-FLUORINATED BENZOTHIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE G.D. Searle LLC (US) 2004-08-25 EP disclosed
US-6740663-B2 ANTIHYPERLIPIDEMIC AGENTS G.D. SEARLE, LLC 2004-05-25 US disclosed
US-20040067872-A1 Novel mono- and di-fluorinated benzothiepine compouds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake G.D. SEARLE, LLC (US) 2004-04-08 US disclosed
US-20030195218-A1 Novel alkyl/aryl hydroxy or keto thiepine compounds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake PHARMACIA CORPORATION 2003-10-16 US disclosed
WO-2003061604-A2 NOVEL ALKYL/ARYL HYDROXY OR KETO THIEPINES. PHARMACIA CORPORATION (US) 2003-07-31 WO disclosed
WO-2003040127-A1 NOVEL MONO- AND DI-FLUORINATED BENZOTHIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE G.D. SEARLE LLC (US) 2003-05-15 WO disclosed
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP disclosed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 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 (4 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-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 NOS3 2646/4885NOS1 2598/4885NOS2 2915/4885
US-20030195218-A1 Novel alkyl/aryl hydroxy or keto thiepine compounds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake SLC10A1, SLC10A2, ABCB11 NOS3 3696/4885NOS1 3892/4885NOS2 4001/4885
US-20040067872-A1 Novel mono- and di-fluorinated benzothiepine compouds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake SLC10A1, SLC10A2, ABCB11 NOS3 2542/4885NOS1 2620/4885NOS2 3107/4885
US-20040176438-A1 Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake SLC10A1, SLC10A2, ABCB11 NOS3 2109/4885NOS1 2495/4885NOS2 2631/4885

“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.