SCHEMBL2003176

SCHEMBL2003176

N[C@@H](CSc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KIF11 P52732 6/20 0.46
PDE7A Q13946 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM8 O00222 1/20 0.45
GRM4 Q14833 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL8610040 1.00 KDM4E (0.52) KDM4EALDH1A1MAPTKIF11PDE7A
SCHEMBL8904293 1.00 KDM4E (0.52) KDM4EALDH1A1MAPTKIF11PDE7A
SCHEMBL10970030 0.85 MAPT (0.49) KDM4EALDH1A1MAPTPDE7ASMN1; SMN2
SCHEMBL7979177 0.85 SLC6A2 (0.51) KDM4EALDH1A1MAPTPDE7ASMN1; SMN2
SCHEMBL9064821 0.84 GRM8 (0.49) KDM4EALDH1A1MAPTKIF11GRM8
SCHEMBL25180568 0.82 KIF11 (0.42) KDM4EALDH1A1MAPTKIF11
SCHEMBL25180569 0.82 KIF11 (0.42) KDM4EALDH1A1MAPTKIF11
SCHEMBL8964242 0.82 MAPT (0.61) ALDH1A1MAPTGRM8GRM4GAA
SCHEMBL8963352 0.82 MAPT (0.61) ALDH1A1MAPTGRM8GRM4GAA
SCHEMBL30377087 0.81 CYP1A2 (0.50) KDM4EALDH1A1MAPTPDE7ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382646-A1 ENGINEERED ENZYMES AND METHODS FOR THE SYNTHESIS OF DIVERSE TYROSINE ANALOGS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-12-18 US claimed
US-12421534-B2 Engineered enzymes and method for the synthesis of diverse tyrosine analogs CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-09-23 US claimed
US-20230313245-A1 Engineered Enzymes and Method for the Synthesis of Diverse Tyrosine Analogs CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-10-05 US claimed
WO-2023086520-A2 ENGINEERED ENZYMES AND METHOD FOR THE SYNTHESIS OF DIVERSE TYROSINE ANALOGS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-05-19 WO claimed
US-5516936-A TREATMENT OF NEUROLOGICAL DISORDERS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-05-14 US claimed
EP-0530322-A4 NOVEL AND IMPROVED METHOD FOR DETERMINATION OF E. COLI IN WATER UNIV CALIFORNIA (US) 1994-06-29 EP claimed
EP-0581907-A4 1994-04-06 EP claimed
EP-0581907-A1 INHIBITORS OF KYNURENINASE THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1994-02-09 EP claimed
EP-0530322-A1 NOVEL AND IMPROVED METHOD FOR DETERMINATION OF E. COLI IN WATER. UNIV CALIFORNIA (US) 1993-03-10 EP claimed
WO-1992018003-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-10-29 WO claimed
WO-1991018111-A1 NOVEL AND IMPROVED METHOD FOR DETERMINATION OF E. COLI IN WATER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-11-28 WO claimed
US-20250382646-A1 ENGINEERED ENZYMES AND METHODS FOR THE SYNTHESIS OF DIVERSE TYROSINE ANALOGS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-12-18 US disclosed
US-12421534-B2 Engineered enzymes and method for the synthesis of diverse tyrosine analogs CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2025-09-23 US disclosed
US-20230313245-A1 Engineered Enzymes and Method for the Synthesis of Diverse Tyrosine Analogs CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-10-05 US disclosed
WO-2023086520-A2 ENGINEERED ENZYMES AND METHOD FOR THE SYNTHESIS OF DIVERSE TYROSINE ANALOGS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-05-19 WO disclosed
US-4638000-A HYPOTENSIVES, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-01-20 US disclosed
US-4564612-A ANGIOTENSION CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS, BENZOTHIAZEPINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-01-14 US disclosed
EP-0156455-A2 Condensed seven-membered ring compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-02 EP disclosed
EP-0125056-A2 Condensed, seven-membered ring compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-11-14 EP disclosed
US-4477464-A Hetero-benzazepine derivatives and their pharmaceutical use CIBA-GEIGY CORPORATION (US) 1984-10-16 US disclosed