SCHEMBL189879

SCHEMBL189879

Nc1ccc(CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
EYA2 O00167 1/20 0.39
APP P05067 1/20 0.39
ACE P12821 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL21652462 1.00 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL29395464 1.00 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL6520314 0.95 SOAT1 (0.36) TDP1EYA2APPACEKDM4E
SCHEMBL5004047 0.94 CA1 (0.34) TDP1EYA2APPACEKDM4E
SCHEMBL13814004 0.93 TDP1 (0.38) TDP1EYA2APPACEKDM4E
SCHEMBL10413971 0.93 SOAT1 (0.37) CA1CA2CA12CA9
SCHEMBL1742184 0.93 SOAT1 (0.37) CA1CA2CA12CA9
SCHEMBL12974314 0.90 CA1 (0.34) TDP1EYA2APPACEKDM4E
SCHEMBL8842200 0.87 OPRD1 (0.41) TDP1EYA2APPACEKDM4E
SCHEMBL3108023 0.87 TDP1 (0.42) TDP1EYA2APPACEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911457-B2 Imaging probes and methods for using the probes in diagnostic imaging processes and other imaging processes to determine physiological functions. CARBOMER, INC. (US) 2005-06-28 US claimed
US-20030207823-A1 Novel diabetes imaging probes CARBOMER, INC. 2003-11-06 US claimed
WO-2003086563-A2 DIABETES IMAGING PROBES CARBOMER, INC. (US) 2003-10-23 WO claimed
WO-1990007342-A1 PROCESS FOR PREPARING ISOTHIOCYANATO FUNCTIONALIZED METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1990-07-12 WO claimed
EP-0374947-A1 Process for preparing isothiocyanato functionalized metal complexes THE DOW CHEMICAL COMPANY (US) 1990-06-27 EP claimed
US-4831175-A Backbone polysubstituted chelates for forming a metal chelate-protein conjugate THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1989-05-16 US claimed
US-20240083953-A1 Desmoglein 2 (DSG2) Binding Proteins and Uses Therefor UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2024-03-14 US disclosed
US-11820795-B2 Desmoglein 2 (DSG2) binding proteins and uses therefor UNIVERSITY OF WASHINGTON (US) 2023-11-21 US disclosed
US-20220127308-A1 Desmoglein 2 (DSG2) Binding Proteins and Uses Therefor UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2022-04-28 US disclosed
US-11248028-B2 Desmoglein 2 (DSG2) binding proteins and uses therefor UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-15 US disclosed
US-20200277336-A1 Desmoglein 2 (DSG2) Binding Proteins and Uses Therefor UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2020-09-03 US disclosed
US-10669383-B2 Spheronized polymer particles EVONIK CORPORATION (US) 2020-06-02 US disclosed
US-10611803-B2 Desmoglein 2 (DSG2) binding proteins and uses therefor UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2020-04-07 US disclosed
WO-2000073302-A1 OXAZAHETEROCYCLES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-12-07 WO disclosed
WO-1999051571-A1 BENZAMIDE AND SULFONAMIDE SUBSTITUTED AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-10-14 WO disclosed
US-5412148-A Amplifier molecules derived from diethylene triaminepentaacetic acid for enhancement of diagnosis and therapy THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1995-05-02 US disclosed
WO-1994003593-A1 AMPLIFIER MOLECULES FOR ENHANCEMENT OF DIAGNOSIS AND THERAPY THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1994-02-17 WO disclosed
US-5252317-A Amplifier molecules for diagnosis and therapy derived from 3,5-bis[1-(3-amino-2,2-bis (aminomethyl)-propyl) oxymethyl] benzoic acid THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1993-10-12 US disclosed
US-5135737-A Amplifier molecules for enhancement of diagnosis and therapy THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1992-08-04 US disclosed
US-5006643-A Reacting aminofunctional chelates with thiophosgene THE DOW CHEMICAL COMPANY (US) 1991-04-09 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-20030207823-A1 Novel diabetes imaging probes IAPP, GPR119, DPP4 TDP1 3234/4885EYA2 2461/4885APP 2379/4885

“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.