SCHEMBL726551

SCHEMBL726551

SCc1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.53
CYSLTR2 Q9NS75 1/20 0.53
CYP1A2 P05177 2/20 0.49
NCF1 P14598 2/20 0.46
NOS2 P35228 1/20 0.46
BACE1 P56817 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
PDE10A Q9Y233 2/20 0.45
GPBAR1 Q8TDU6 1/20 0.42
LMNA P02545 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL31185124 1.00 CYSLTR1 (0.53) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
Quinoline SCHEMBL28850528 0.89 ALDH1A1 (0.61) CYSLTR1CYSLTR2CYP1A2PDE10AGPBAR1
SCHEMBL5025561 0.83 PDE10A (0.50) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL30879956 0.81 CYSLTR1 (0.57) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL3267444 0.81 CYSLTR1 (0.57) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL2913941 0.81 PDE10A (0.61) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL4938792 0.79 CYSLTR1 (0.55) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL6798820 0.77 CYSLTR2 (0.53) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL3294465 0.77 CYSLTR1 (0.53) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL498405 0.77 CYSLTR1 (0.53) CYSLTR1CYSLTR2CYP1A2NCF1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4790797-B2 2011-10-12 JP claimed
US-20090098663-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A POLYMERIC COATING REAGENT, AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-04-16 US claimed
US-20090042032-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A LOW MOLECULAR WEIGHT COATING REAGENT, AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-02-12 US claimed
JP-2008540726-A 2008-11-20 JP claimed
EP-1883819-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A POLYMERIC COATING REAGENT, AND METHODS OF PREPARING THE SAME Agency for Science, Technology and Research (SG) 2008-02-06 EP claimed
EP-1883820-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A LOW MOLECULAR WEIGHT COATING REAGENT, AND METHODS OF PREPARING THE SAME Agency for Science, Technology and Research (SG) 2008-02-06 EP claimed
WO-2006118543-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A LOW MOLECULAR WEIGHT COATING REAGENT, AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-09 WO claimed
WO-2006118542-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A POLYMERIC COATING REAGENT, AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-09 WO claimed
US-20040126778-A1 Isolation of dna molecules CYTIVA BIOPROCESS R&D AB (SE) 2004-07-01 US claimed
EP-1379645-A2 ISOLATION OF DNA MOLECULES USING MERCAPTO-ARYL LIGANDS Amersham Biosciences AB (SE) 2004-01-14 EP claimed
WO-2002083893-A2 ISOLATION OF DNA MOLECULES USING MERCAPTO-ARYL LIGANDS AMERSHAM BIOSCIENCES AB (SE) 2002-10-24 WO claimed
JP-63183563-A None JP disclosed
US-20220144747-A1 SHIKIMATE ANALOGUES AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2022-05-12 US disclosed
US-20200172677-A1 STABILIZATION OF NOBLE METAL CATALYSTS WACKER CHEMIE AG (DE) 2020-06-04 US disclosed
EP-3612584-B1 STABILIZATION OF NOBLE METAL CATALYSTS WACKER CHEMIE AG (DE) 2020-05-27 EP disclosed
JP-S63183563-A 2-QUINOLYLMETHYL=SULFIDE DERIVATIVE AND PRODUCTION THEREOF MECT CORP 1988-07-28 JP disclosed
EP-0014745-B1 CURING AGENT FOR POLYEPOXIDES, CURABLE EPOXY RESIN COMPOSITIONS, HARDENED PRODUCTS THEREFROM AND PROCESS FOR CURING A POLYEPOXIDE DIAMOND SHAMROCK CORPORATION (US) 1983-05-25 EP disclosed
EP-0075827-A2 Polyepoxide curing by polymercaptans plus catalytic co-curing agents DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1983-04-06 EP disclosed
EP-0014745-A1 Curing agent for polyepoxides, curable epoxy resin compositions, hardened products therefrom and process for curing a polyepoxide DIAMOND SHAMROCK CORPORATION (US) 1980-09-03 EP disclosed
US-4177173-A INFUSIBLE FILMS, CASTINGS OR ADHESIVES DIAMOND SHAMROCK CORPORATION (US) 1979-12-04 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-20220144747-A1 SHIKIMATE ANALOGUES AND METHODS OF USE GRIK5, GRIK1, GRIK3 CYSLTR1 724/4885CYSLTR2 769/4885CYP1A2 1710/4885

“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.