SCHEMBL3608675

SCHEMBL3608675

O=Cc1cc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.53
EPHX2 P34913 1/20 0.42
SCN4A P35499 1/20 0.42
CHRNA7 P36544 1/20 0.39
DYRK1A Q13627 2/20 0.38
PPARA Q07869 1/20 0.36
CSNK1D P48730 3/20 0.35
ACP1 P24666 1/20 0.35
PTPN5 P54829 1/20 0.34
BACE1 P56817 1/20 0.34
METAP2 P50579 1/20 0.34
G6PD P11413 1/20 0.34
TLR9 Q9NR96 1/20 0.34
MGLL Q99685 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
SCHEMBL12095336 0.86 CYP2A6 (0.57) CYP2A6EPHX2SCN4ACHRNA7DYRK1A
SCHEMBL18002956 0.83 CYP2A6 (0.41) CYP2A6EPHX2SCN4ACHRNA7BACE1
SCHEMBL3619198 0.79 PDE5A (0.46) EPHX2SCN4ACHRNA7DYRK1APPARA
SCHEMBL3619193 0.79 PDE5A (0.46) EPHX2SCN4ACHRNA7DYRK1APPARA
SCHEMBL18002743 0.78 SRD5A2 (0.49) CYP2A6PPARA
SCHEMBL6963606 0.77 CYP2A6 (0.58) CYP2A6CHRNA7DYRK1A
SCHEMBL18003399 0.76 MAPT (0.60) PPARA
SCHEMBL13503509 0.74 CHRNA7 (0.38) EPHX2SCN4ACHRNA7DYRK1APPARA
SCHEMBL23775695 0.74 CYP2A6 (0.60) CYP2A6
SCHEMBL17400890 0.74 EPHX2 (0.47) EPHX2SCN4ACHRNA7DYRK1APPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102675341-B Dihydro-triazole and benzo two nitrogen heterocyclic ketones compound, processes for their preparation and pharmaceutical compositions comprising these compounds SERVIER LAB 2015-02-25 CN disclosed
US-8778932-B2 Dihydro-oxazolobenzodiazepinone compounds, a process for there preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2014-07-15 US disclosed
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
EP-2497774-B1 Dihydro-oxazolobenzodiazepinone derivatives, processes for their preparation and pharmaceutical compositions comprising these compounds SERVIER LAB (FR) 2013-10-16 EP disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8518964-B2 Tricyclic compounds useful as inhibitors of kinases MERCK SHARP & DOHME CORP. (US) 2013-08-27 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
CN-102675341-A Dihydro-triazole and benzo two nitrogen heterocyclic ketones compound, processes for their preparation and pharmaceutical compositions comprising these compounds SERVIER LAB 2012-09-19 CN disclosed
WO-2012120206-A1 NOVEL DIHYDRO-OXAZOLOBENZODIAZEPINONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2012-09-13 WO disclosed
EP-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP disclosed
EP-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP disclosed
EP-1954290-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES Merck & Co., Inc. (US) 2008-08-13 EP disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
WO-2007061764-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007061764-A2 TRICYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES MERCK & CO., INC. (US) 2007-05-31 WO disclosed
EP-1740568-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORPORATION (US) 2007-01-10 EP disclosed
WO-2005077926-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (1 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-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease ABAT, BPTF, TNNT2 CYP2A6 129/4885EPHX2 3103/4885SCN4A 2353/4885

“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.