SCHEMBL132172

SCHEMBL132172

O=C1N=CN/C1=C\c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.50
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
APAF1 O14727 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
METAP1 P53582 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
AKR1B1 P15121 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 2/20 0.40
APEX1 P27695 1/20 0.40
F3 P13726 1/20 0.40

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
SCHEMBL132173 1.00 GSK3B (0.50) GSK3BALDH1A1HPGDKMT2AMEN1
Hydrogen Peroxide SCHEMBL29033947 0.98 GSK3B (0.49) GSK3BALDH1A1HPGDKMT2AMEN1
SCHEMBL16111885 0.78 MAPT (0.54) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL751632 0.75 GSK3B (0.50) GSK3BALDH1A1HPGDKMT2AMEN1
SCHEMBL751633 0.75 GSK3B (0.50) GSK3BALDH1A1HPGDKMT2AMEN1
SCHEMBL3714349 0.75 GSK3B (0.50) GSK3BALDH1A1HPGDKMT2AMEN1
SCHEMBL15954810 0.75 LRRK2 (0.38) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL16111649 0.71 KMT2A (0.50) GSK3BALDH1A1HPGDKMT2AMEN1
4-Hydroxyphenylmethylene Hydantoin SCHEMBL5343815 0.67 GSK3B (1.00) GSK3BALDH1A1HPGDKMT2AMEN1
4-Hydroxyphenylmethylene Hydantoin SCHEMBL5346095 0.67 GSK3B (1.00) GSK3BALDH1A1HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12436104-B2 Fluorescent probe for branched chain amino acids and use thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2025-10-07 US disclosed
EP-3778650-B1 FLUORESCENT PROBE FOR BRANCHED CHAIN AMINO ACIDS AND USE THEREOF UNIV EAST CHINA SCIENCE & TECH (CN) 2025-08-20 EP disclosed
US-20240027344-A1 Fluorescent Probe for Branched Chain Amino Acids and Use Thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2024-01-25 US disclosed
US-20210094922-A1 Dyes for Analysis of Soluble Protein Aggregates or Misfolded Protein Oligomers PENN STATE RES FOUND (US) 2021-04-01 US disclosed
EP-3778650-A1 FLUORESCENT PROBE FOR BRANCHED CHAIN AMINO ACIDS AND USE THEREOF East China University of Science and Technology (CN) 2021-02-17 EP disclosed
EP-3761976-A1 DYES FOR ANALYSIS OF SOLUBLE PROTEIN AGGREGATES OR MISFOLDED PROTEIN OLIGOMERS The Penn State Research Foundation (US) 2021-01-13 EP disclosed
WO-2019174633-A1 FLUORESCENT PROBE FOR BRANCHED CHAIN AMINO ACIDS AND USE THEREOF 华东理工大学 2019-09-19 WO disclosed
WO-2019173607-A1 DYES FOR ANALYSIS OF SOLUBLE PROTEIN AGGREGATES OR MISFOLDED PROTEIN OLIGOMERS THE PENN STATE RESEARCH FOUNDATION (US) 2019-09-12 WO disclosed
CN-108395484-A Branched-chain amino acid fluorescence probe and its application 华东理工大学 2018-08-14 CN disclosed
US-9945860-B2 Nicotinamide adenine dinucleotide indicators, methods of preparation and application thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-04-17 US disclosed
US-20070254373-A1 Fragments of fluorescent proteins for protein fragment complementation assays ODYSSEY PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-7166424-B2 Fragments of fluorescent proteins for protein fragment complementation assays ODYSSEY THERA INC. (US) 2007-01-23 US disclosed
US-7001892-B1 Pharmaceutical materials and methods for their preparation and use PURDUE RESEARCH FOUNDATION (US) 2006-02-21 US disclosed
US-20040229240-A1 In vivo screening of protein-protein interactions with protein-fragment complementation assays THE UNIVERSITY OF MONTREAL (CA) 2004-11-18 US disclosed
US-20040137528-A1 Fragments of fluorescent proteins for protein fragment complementation assays ODYSSEY THERA INC. 2004-07-15 US disclosed
WO-2000076480-A9 PHARMACEUTICAL MATERIALS AND METHODS FOR THEIR PREPARATION AND USE LILLY CO ELI (US) 2002-07-11 WO disclosed
EP-1189599-A2 PHARMACEUTICAL MATERIALS AND METHODS FOR THEIR PREPARATION AND USE ELI LILLY AND COMPANY (US) 2002-03-27 EP disclosed
WO-2000076480-A2 PHARMACEUTICAL MATERIALS AND METHODS FOR THEIR PREPARATION AND USE ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
US-6020192-A GENES ADAPTED FOR HIGH LEVEL EXPRESSION IN MAMMALIAN CELLS, ESPECIALLY THOSE OF HUMAN ORIGIN. UNIVERSITY OF FLORIDA (US) 2000-02-01 US disclosed
US-5874304-A HIGH LEVEL EXPRESSION IN MAMMALIAN CELLS, ESPECIALLY OF HUMAN; BASE SUBSTITUTIONS MADE IN VARIOUS CODONS TO CHANGE THE CODON USAGE TO ONE MORE APPROPRIATE FOR EXPRESSION IN MAMMALS; GENE THERAPY; REPORTER GENE KITS; CELL DETECTION UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1999-02-23 US 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 (1 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-20210094922-A1 Dyes for Analysis of Soluble Protein Aggregates or Misfolded Protein Oligomers HSPBP1, HTT, HSPA5 GSK3B 4514/4885ALDH1A1 4521/4885HPGD 3456/4885

“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.