SCHEMBL418686

SCHEMBL418686

COc1ccc(Br)nn1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL353814 0.85 NNMT (0.54)
SCHEMBL30956492 0.79 HTT (0.45)
SCHEMBL31546940 0.79 GABRA1 (0.39)
SCHEMBL610831 0.78
SCHEMBL25404803 0.76
SCHEMBL1456221 0.74 NNMT (0.46)
SCHEMBL31051714 0.74
SCHEMBL25220258 0.74
SCHEMBL46333 0.72
SCHEMBL1430515 0.70 PDE10A (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798230-A Indolone compounds and application thereof in treating acute and chronic liver diseases and promoting tissue repair 中国药科大学 2025-04-11 CN claimed
US-12577228-B2 Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds UCB Biopharma SRL (BE) 2026-03-17 US disclosed
EP-4081296-B1 DIHYDROCYCLOPENTA-ISOQUINOLINE-SULFONAMIDE DERIVATIVES COMPOUNDS UCB Biopharma SRL (BE) 2026-02-11 EP disclosed
US-20260028365-A1 TYROSINE KINASE 2 INHIBITORS AND USES THEREOF BIOGEN MA INC (US) 2026-01-29 US disclosed
US-12497405-B2 Bicyclic heterocycle compounds methods of use thereof for the treatment of herpes viruses MERCK SHARP & DOHME LLC (US) 2025-12-16 US disclosed
EP-3891158-B1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2025-09-10 EP disclosed
CN-119894879-A Tyrosine kinase 2 inhibitors and uses thereof 渤健马萨诸塞州股份有限公司 2025-04-25 CN disclosed
US-20250122132-A1 NITRIFICATION INHIBITORS LINCOLN UNIVERSITY (NZ) 2025-04-17 US disclosed
CN-119798230-A Indolone compounds and application thereof in treating acute and chronic liver diseases and promoting tissue repair 中国药科大学 2025-04-11 CN disclosed
EP-3870577-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2025-03-19 EP disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US disclosed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
WO-1997012883-A1 INTERMEDIATES AND PROCESS FOR THE PREPARATION OF SUBSTITUTED SALICYLIC ACID DERIVATIVES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-04-10 WO disclosed