SCHEMBL198654

SCHEMBL198654

CN(C)C(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17610495 1.00 ALDH1A1 (0.33) ALDH1A1MAPTPPARGMEN1KMT2A
SCHEMBL198655 1.00 ALDH1A1 (0.33) ALDH1A1MAPTPPARGMEN1KMT2A
Water SCHEMBL28484737 0.98 ALDH1A1 (0.33) ALDH1A1MAPTPPARG
Hydrochloric Acid SCHEMBL28132975 0.98 ALDH1A1 (0.35) ALDH1A1MAPTPPARGMEN1KMT2A
Hydrochloric Acid SCHEMBL17293302 0.97 ALDH1A1 (0.35) ALDH1A1MAPTPPARGMEN1KMT2A
Hydrochloric Acid SCHEMBL19065058 0.97 ALDH1A1 (0.35) ALDH1A1MAPTPPARGMEN1KMT2A
Sulfurous Acid SCHEMBL28518724 0.94 PPARG (0.31) ALDH1A1MAPTPPARG
SCHEMBL28518721 0.90 PPARG (0.31) PPARG
Imidazole SCHEMBL29264303 0.89 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9780515 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122063204-A High performance liquid chromatography detection method for ergothioneine 弈柯莱生物科技(集团)股份有限公司 2026-05-19 CN claimed
EP-4679087-A1 BIOMARKER AND USE THEREOF MEIJI CO., LTD (JP) 2026-01-14 EP claimed
EP-4520819-A1 CHEMICAL-ENZYME COUPLING METHOD FOR SYNTHESIZING ERGOTHIONEINE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2025-03-12 EP claimed
WO-2024190663-A1 BIOMARKER AND USE THEREOF 株式会社明治 2024-09-19 WO claimed
CN-118256455-A Method for preparing ergothioneine by directly utilizing cysteine 深圳瑞德林生物技术有限公司 2024-06-28 CN claimed
CN-118256457-A Synthesis method of ergothioneine 深圳瑞德林生物技术有限公司 2024-06-28 CN claimed
CN-117083377-B Chemo-enzyme coupling method for synthesizing ergothioneine 中国科学院上海有机化学研究所 2024-04-26 CN claimed
CN-115301218-B Lignocellulose sponge-based waste gas adsorption material and application thereof 江苏宿迁润泰环保科技有限公司 2024-03-08 CN claimed
US-20240036055-A1 Multiplexed DiLeu-Biotin-Azide (DBA) Tag Enabled Isobaric Tandem Orthogonal Proteolysis Activity-Based Protein Profiling (isoBOP-ABPP) Platform For High-Throughput Quantitative Pan-PTM Analysis WISCONSIN ALUMNI RESEARCH FOUNDATION 2024-02-01 US claimed
EP-4302776-A1 COMBINATION THERAPY OF INSULINOTROPIC PEPTIDE AND GLP-2, FOR PREVENTING OR TREATING SHORT BOWEL SYNDROME Hanmi Pharm. Co., Ltd. (KR) 2024-01-10 EP claimed
CN-111433221-A Long-acting conjugates of glucagon-like peptide-2 (G L P-2) derivatives 韩美药品株式会社 2020-07-17 CN claimed
EP-3575314-A2 GLUCAGON DERIVATIVES Hanmi Pharm. Co., Ltd. (KR) 2019-12-04 EP claimed
CN-107636009-A Hyperglycemic factor derivative with improved stability 韩美药品株式会社 2018-01-26 CN claimed
US-20170360892-A1 GLUCAGON DERIVATIVES WITH IMPROVED STABILITY HANMI PHARM. CO., LTD. (KR) 2017-12-21 US claimed
EP-3241841-A1 GLUCAGON DERIVATIVE HAVING IMPROVED STABILITY Hanmi Pharm. Co., Ltd. (KR) 2017-11-08 EP claimed
CN-106573895-A Novel 5-acylsulfanyl-histidine compounds as precursors for the corresponding 5-sulfanylhistidines and disulfides thereof 特瑞海德公司 2017-04-19 CN claimed
EP-3148973-A1 NOVEL COMPOUNDS OF THE 5-ACYLSULFANYL-HISTIDINE TYPE AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THE DISULFIDES THEREOF Tetrahedron (FR) 2017-04-05 EP claimed
CN-105636975-A Anti-inflammatory tripeptides DR AUGUST WOLFF GMBH & CO KG ARZNEIMITTEL 2016-06-01 CN claimed
WO-2015181507-A1 NOVEL COMPOUNDS OF THE 5-ACYLSULFANYL-HISTIDINE TYPE AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THE DISULFIDES THEREOF TETRAHEDRON (FR) 2015-12-03 WO claimed
US-20100143322-A1 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT PATENT & LICENCE TRADING LTD., C/O THE B-NET (GB) 2010-06-10 US claimed