Msc-4381

Msc-4381

SCHEMBL31019750

CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C#Cc2cnc(C(=O)O)cc2OC)c2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 14/20 1.00
SLC16A7 O60669 1/20 1.00
SLC16A8 O95907 1/20 1.00
HTR5A P47898 1/20 1.00
OPRD1 P41143 1/20 0.58
HTR6 P50406 1/20 0.58
SLC6A3 Q01959 1/20 0.58
POLB P06746 4/20 0.57
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.42

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
Msc-4381 SCHEMBL22116621 1.00 SLC16A3 (1.00) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL22116778 0.95 SLC16A3 (0.90) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL22116703 0.94 SLC16A3 (0.89) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL22116501 0.91 SLC16A3 (0.84) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL22116679 0.91 SLC16A3 (1.00) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL30188226 0.91 SLC16A3 (1.00) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL30188311 0.88 SLC16A3 (0.94) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL22116779 0.88 SLC16A3 (0.94) SLC16A3SLC16A7SLC16A8HTR5AOPRD1
SCHEMBL30182486 0.87 SLC16A3 (0.77) SLC16A3SLC16A7SLC16A8HTR5APOLB
SCHEMBL24109639 0.87 SLC16A3 (0.77) SLC16A3SLC16A7SLC16A8HTR5AOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121668166-A SLC16A3 inhibitor based on iron death regulation and application thereof in lung adenocarcinoma 中国人民解放军总医院第一医学中心 2026-03-17 CN disclosed
EP-4658641-A1 NOVEL COMPOUNDS THAT CAN BE USED AS THERAPEUTIC AGENTS Xeniom GmbH (DE) 2025-12-10 EP disclosed
WO-2024161041-A1 NOVEL COMPOUNDS THAT CAN BE USED AS THERAPEUTIC AGENTS XENIOM GMBH (DE) 2024-08-08 WO disclosed