SCHEMBL29975686

SCHEMBL29975686

Brc1cc2cc[nH]c2cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.50
NR4A2 P43354 2/20 0.50
CYP2A6 P11509 2/20 0.50
CSNK2A1 P68400 1/20 0.46
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
MAPK1 P28482 1/20 0.41
F7 P08709 1/20 0.41
LTA4H P09960 1/20 0.41
F3 P13726 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
RAD51 Q06609 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOB P27338 2/20 0.39
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
NPC1 O15118 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
SCHEMBL10179592 1.00 AHR (0.50) AHRNR4A2CYP2A6CSNK2A1HDAC6
SCHEMBL29563719 0.83 AHR (0.50) AHRNR4A2CYP2A6CSNK2A1GPR84
SCHEMBL1513255 0.83 AHR (0.50) AHRNR4A2CYP2A6CSNK2A1GPR84
Ethoxycarbonyl Group SCHEMBL27658731 0.81 CYP2A6 (0.36) AHRNR4A2CYP2A6CSNK2A1HDAC6
SCHEMBL12680497 0.76 NPC1 (0.56) AHRNR4A2CYP2A6NPC1DYRK1B
SCHEMBL8664673 0.75 PDPK1 (0.47) AHRNR4A2CYP2A6CSNK2A1HDAC6
SCHEMBL14041127 0.75 GPR84 (0.52) AHRNR4A2CYP2A6CSNK2A1HDAC6
SCHEMBL8296659 0.75 CYP2A6 (0.47) AHRNR4A2CYP2A6CSNK2A1HDAC6
SCHEMBL21090062 0.75 HDAC6 (0.43) AHRNR4A2CYP2A6CSNK2A1HDAC6
SCHEMBL30758727 0.75 CYP2A6 (0.47) AHRNR4A2CYP2A6CSNK2A1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720037-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 EP disclosed
US-20250179066-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-06-05 US disclosed
CN-115611925-B HPK1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2025-04-08 CN disclosed
CN-115768761-B Novel benzimidazole derivatives 卡尔那生物科学株式会社 2025-02-25 CN disclosed
WO-2024130095-A9 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-08-02 WO disclosed
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 CN disclosed
CN-110637011-B Fanisole X receptor agonist and application thereof 奥加诺沃公司 2024-05-14 CN disclosed
WO-2024081653-A2 METHODS OF LOWERING MIRO2 TO TREAT NEURODEGENERATIVE DISEASES ACUREX BIOSCIENCES CORPORATION (US) 2024-04-18 WO disclosed
CN-117751117-A SARM1 enzyme activity inhibitor and application thereof 科辉智药生物科技(无锡)有限公司 2024-03-22 CN disclosed
EP-4313944-A1 METAP-2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF Canwell Biotech Limited (HK) 2024-02-07 EP disclosed
EP-4301759-A2 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF The Board of Trustees of the Leland Stanford Junior University (US) 2024-01-10 EP disclosed
CN-111406054-B 1,2, 4-oxadiazole derivatives as inhibitors of histone deacetylase 6 奥莱松基因组股份有限公司 2024-01-02 CN disclosed
US-20230382926-A1 COMPOUNDS AND USES THEREOF THE UNIVERSITY OF THE WEST INDIES (TT) 2023-11-30 US disclosed
CN-115768761-A Novel benzimidazole derivatives 卡尔那生物科学株式会社 2023-03-07 CN disclosed
CN-111278823-B Heterocyclic compounds as fibroblast growth factor receptor inhibitors 上海新契博生物科技有限公司 2023-01-24 CN disclosed
CN-115611925-A HPK1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2023-01-17 CN disclosed
WO-2022216386-A9 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-01 WO disclosed
WO-2022216386-A2 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-10-13 WO disclosed
WO-2022206350-A1 METAP-2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF CANWELL BIOTECH LIMITED (CN) 2022-10-06 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 (2 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-20230382926-A1 COMPOUNDS AND USES THEREOF CFTR, CCL11, CEL AHR 1989/4885NR4A2 4544/4885CYP2A6 1063/4885
US-20250179066-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS MRPL21, WIZ, CFTR AHR 3310/4885NR4A2 3876/4885CYP2A6 2634/4885

“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.