SCHEMBL826716

SCHEMBL826716

Clc1ccc2ccoc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR1B P28222 5/20 0.41
PIK3CG P48736 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
AHR P35869 2/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
Acetic Acid SCHEMBL28316508 0.87 CA12 (0.47) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL25117488 0.83 CYP2A6 (0.50) CYP2A6KDM4EHSD17B10PIK3CGAHR
SCHEMBL826762 0.81 CYP2A6 (0.50) CYP2A6KDM4EHTR1BAHRCNR1
SCHEMBL29756248 0.75 DYRK1A (0.50) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
Benzofuran SCHEMBL27671125 0.74 MAOB (0.43) CYP2A6KDM4EMAOAACHEAHR
SCHEMBL2149910 0.73 CYP2A6 (0.54) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL8798702 0.73 CYP2A6 (0.45) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL27341174 0.72 ACLY (0.42) CA12CNR1
SCHEMBL221829 0.71 FTO (0.53) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL172445 0.71 CYP2A6 (0.48) CYP2A6KDM4ECYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12071404-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides UCB PHARMA GMBH (DE) 2024-08-27 US disclosed
EP-3860994-B1 TRANSCRIPTION FACTOR BRN2 INHIBITORY COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE UNIV BRITISH COLUMBIA (CA) 2024-08-14 EP disclosed
US-11820746-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides UCB PHARMA GMBH (DE) 2023-11-21 US disclosed
US-11820746-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides UCB PHARMA GMBH (DE) 2023-11-21 US disclosed
US-11820746-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides UCB PHARMA GMBH (DE) 2023-11-21 US disclosed
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS THE UNIVERSITY OF HONG KONG (CN) 2023-11-09 US disclosed
US-20230348384-A1 Aza (Indole)-, Benzothiophene-, And Benzofuran-3-Sulfonamides UCB PHARMA GMBH (DE) 2023-11-02 US disclosed
US-20230348384-A1 Aza (Indole)-, Benzothiophene-, And Benzofuran-3-Sulfonamides UCB PHARMA GMBH (DE) 2023-11-02 US disclosed
US-20230348384-A1 Aza (Indole)-, Benzothiophene-, And Benzofuran-3-Sulfonamides UCB PHARMA GMBH (DE) 2023-11-02 US disclosed
CN-116283712-A (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2023-06-23 CN disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed
US-4812471-A Hypoglycemic 5-(isoxazolyl or isothiazolyl)-oxazolidine-2,4-diones PFIZER INC. (US) 1989-03-14 US disclosed
US-4753956-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1988-06-28 US disclosed
US-4689336-A Hypoglycemic 5-substituted oxazolidine 2,4-diones PFIZER INC. (US) 1987-08-25 US disclosed
US-4565820-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1986-01-21 US disclosed
US-4431810-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1984-02-14 US disclosed
US-4342771-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1982-08-03 US disclosed
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 US disclosed
US-3975537-A SUBSTITUTED BENZOFURANS SMITH KLINE (US) 1976-08-17 US disclosed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 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 (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-11820746-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides GPR17, GPR18, GPR27 CYP2A6 2212/4885KDM4E 1609/4885CYP3A4 2597/4885
US-20230348384-A1 Aza (Indole)-, Benzothiophene-, And Benzofuran-3-Sulfonamides GPR17, GPR18, GPR27 CYP2A6 2212/4885KDM4E 1609/4885CYP3A4 2597/4885
US-12071404-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides GPR17, GPR18, GPR27 CYP2A6 2212/4885KDM4E 1609/4885CYP3A4 2597/4885
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS YEATS2, YEATS4, KNTC1 CYP2A6 4559/4885KDM4E 351/4885CYP3A4 4771/4885

“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.