SCHEMBL30845992

SCHEMBL30845992

CN(C)CCOc1ccc2c(c1)CN(C(=O)c1cc(C(=O)N3Cc4ccccc4C3)ccc1O)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 16/20 1.00
HSP90B1 P14625 10/20 1.00
HSP90AA1 P07900 3/20 0.64
HSP90AB1 P08238 1/20 0.64
MGLL Q99685 1/20 0.52
ABHD6 Q9BV23 1/20 0.52

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
SCHEMBL27147739 1.00 TRAP1 (1.00) TRAP1HSP90B1HSP90AA1HSP90AB1MGLL
SCHEMBL27153241 0.95 TRAP1 (1.00) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL30845994 0.95 TRAP1 (1.00) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL27153546 0.90 TRAP1 (1.00) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL30846003 0.90 TRAP1 (1.00) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL3766601 0.90 TRAP1 (0.81) TRAP1HSP90B1HSP90AA1HSP90AB1MGLL
SCHEMBL30846006 0.86 TRAP1 (1.00) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL30845998 0.86 TRAP1 (1.00) TRAP1HSP90B1HSP90AA1
SCHEMBL27153316 0.86 TRAP1 (1.00) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL27153542 0.86 TRAP1 (1.00) TRAP1HSP90B1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573087-A1 USE OF (ISOINDOLIN-2-YL)(4-HYDROXY-3-(ISOINDOLINE-2-CARBONYL)PHENYL)METHANONES IN THE TREATMENT OF TUMOR NECROSIS FACTOR RECEPTOR-ASSOCIATED PROTEIN 1 DYSFUNCTION University of Notre Dame du Lac (US) 2025-06-25 EP disclosed
WO-2024044553-A1 USE OF (ISOINDOLIN-2-YL)(4-HYDROXY-3-(ISOINDOLINE-2-CARBONYL)PHENYL)METHANONES IN THE TREATMENT OF TUMOR NECROSIS FACTOR RECEPTOR-ASSOCIATED PROTEIN 1 DYSFUNCTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2024-02-29 WO disclosed