SCHEMBL28419

SCHEMBL28419

BrCc1ccc(Br)cc1I

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
CYP2A6 P11509 2/20 0.38
ALOX15 P16050 3/20 0.36
S100A4 P26447 1/20 0.34
ACHE P22303 1/20 0.33
GSK3B P49841 2/20 0.32
GPR84 Q9NQS5 1/20 0.31
APP P05067 1/20 0.31
CES2 O00748 1/20 0.31
GALR3 O60755 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CYP2C19 P33261 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL30900304 1.00 BACE1 (0.41) BACE1CYP2A6ALOX15S100A4ACHE
SCHEMBL28398514 0.88 BACE1 (0.35) BACE1
SCHEMBL2556376 0.81 CYP2A6 (0.32) BACE1CYP2A6ALOX15S100A4GPR84
SCHEMBL30087221 0.81 CYP2A6 (0.32) BACE1CYP2A6ALOX15S100A4GPR84
SCHEMBL17868540 0.80 S100A4 (0.42) CYP2A6ALOX15S100A4GPR84AHR
SCHEMBL25172358 0.79 CYP2A6 (0.44) BACE1CYP2A6ALOX15S100A4
SCHEMBL868296 0.79 BACE1 (0.40) BACE1CYP2A6ALOX15S100A4GSK3B
SCHEMBL22028119 0.79 BACE1 (0.40) BACE1CYP2A6ALOX15S100A4ACHE
SCHEMBL30906634 0.79 BACE1 (0.40) BACE1CYP2A6ALOX15S100A4GSK3B
SCHEMBL29163883 0.79 PTGDR2 (0.41) BACE1CYP2A6ALOX15S100A4GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615573-A1 GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS Eli Lilly and Company (US) 2025-09-17 EP disclosed
EP-4540230-A1 ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-04-23 EP disclosed
US-20240246950-A1 Anilino-Pyrazole Derivatives, Compositions and Methods Thereof Ensem Therapeutics (US) 2024-07-25 US disclosed
WO-2024102625-A1 GLUCAGON-LIKE PEPTIDE 1 RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2024-05-16 WO disclosed
WO-2024051717-A1 COMPOUND AS PLK1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海深势唯思科技有限责任公司 2024-03-14 WO disclosed
CN-117658987-A Compounds as PLK1 inhibitors, and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-03-08 CN disclosed
WO-2023244710-A1 ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
EP-3691639-B1 CHROMANE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
EP-4219511-A1 INTERMEDIATE, PREPARING METHOD THEREOF, AND METHOD OF PREPARING DRUG Heron Neutron Medical Corp. (TW) 2023-08-02 EP disclosed
CN-116496307-A Intermediate, process for producing the same and process for producing medicament 禾荣科技股份有限公司 2023-07-28 CN disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
WO-2010105179-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-09-16 WO disclosed
WO-2010105179-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-09-16 WO disclosed
WO-2010022847-A1 ELECTROLUMINESCENT POLYMERS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF MERCK PATENT GMBH (DE) 2010-03-04 WO disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
CN-101094827-A Benzene compound having two or more substituents SANKYO CO (JP) 2007-12-26 CN disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP 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 (3 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-20240246950-A1 Anilino-Pyrazole Derivatives, Compositions and Methods Thereof CDK2, CDK3, CDK4 BACE1 2946/4885CYP2A6 2557/4885ALOX15 2935/4885
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 BACE1 1/4885CYP2A6 2795/4885ALOX15 2821/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 BACE1 761/4885CYP2A6 300/4885ALOX15 1248/4885

“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.