SCHEMBL430113

SCHEMBL430113

O=C1C=CC(=O)N1c1cnnnn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.36
FAAH O00519 5/20 0.36
BCHE P06276 1/20 0.34
TLR9 Q9NR96 1/20 0.33
HSP90AA1 P07900 2/20 0.30
CCR6 P51684 1/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL30003370 0.75 MGLL (0.40) MGLLFAAHBCHETLR9HSP90AA1
SCHEMBL28755760 0.72 BCHE (0.42) MGLLFAAHBCHETLR9HSP90AA1
SCHEMBL327660 0.67 TLR9 (0.40) MGLLFAAHBCHETLR9HSP90AA1
SCHEMBL28682497 0.62
SCHEMBL4344306 0.61 BCHE (0.43) MGLLFAAHBCHETLR9HSP90AA1
SCHEMBL349418 0.61 MGLL (0.50) MGLLFAAHBCHETLR9HSP90AA1
SCHEMBL31179957 0.60 MGLL (0.56) MGLLFAAHBCHEHSP90AA1CCR6
SCHEMBL28796586 0.58 CDC25B (0.30)
SCHEMBL9418751 0.58 HSP90AA1 (0.56) MGLLFAAHBCHETLR9HSP90AA1
SCHEMBL5178729 0.57 MGLL (0.48) MGLLFAAHBCHETLR9HSP90AA1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11850216-B2 18F labeling of proteins using sortases WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-12-26 US disclosed
US-20200384137-A1 18F LABELING OF PROTEINS USING SORTASES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2020-12-10 US disclosed
US-10556024-B2 18F labeling of proteins using sortases WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2020-02-11 US disclosed
US-10434197-B2 Tetrazine-trans-cyclooctene ligation for the rapid construction of radionuclide labeled probes UNIVERSITY OF DELAWARE (US) 2019-10-08 US disclosed
US-9999689-B2 Imaging beta cell mass THE GENERAL HOSPITAL CORPORATION (US) 2018-06-19 US disclosed
US-20160368993-A1 ALPHA-V BETA-6 INTEGRIN-BINDING ANTIBODY FRAGMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-22 US disclosed
US-20160287734-A1 18F LABELING OF PROTEINS USING SORTASES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-10-06 US disclosed
US-20160263250-A1 Imaging Beta Cell Mass THE GENERAL HOSPITAL CORPORATION 2016-09-15 US disclosed
EP-2595967-B1 TETRAZINE-TRANS-CYCLOOCTENE LIGATION FOR THE RAPID CONSTRUCTION OF RADIONUCLIDE LABELED PROBES UNIV DELAWARE (US) 2016-03-23 EP disclosed
CN-103221398-B For the tetrazine-trans cyclooctene ligation of rapid build radioisotope labeling probe UNIVERSITY OF DELAWARE (US) 2016-03-23 CN disclosed
US-9289516-B2 Imaging beta cell mass THE GENERAL HOSPITAL CORPORATION (US) 2016-03-22 US disclosed
WO-2015073746-A9 18F LABELING OF PROTEINS USING SORTASES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-07-23 WO disclosed
WO-2015085179-A1 ALPHA-V BETA-6 INTEGRIN-BINDING ANTIBODY FRAGMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-06-11 WO disclosed
WO-2015073746-A2 18F LABELING OF PROTEINS USING SORTASES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-05-21 WO disclosed
US-20140056812-A1 Imaging Beta Cell Mass THE GENERAL HOSPITAL CORPORATION (US) 2014-02-27 US disclosed
US-20130266512-A1 Tetrazine-trans-cyclooctene Ligation for the Rapid Construction of Radionuclide Labeled Probes UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-10-10 US disclosed
CN-103221398-A Tetrazine-trans-yclooctene ligation for the rapid construction of radionuclide labeled probes UNIV DELAWARE 2013-07-24 CN disclosed
EP-2595967-A2 TETRAZINE-TRANS-CYCLOOCTENE LIGATION FOR THE RAPID CONSTRUCTION OF RADIONUCLIDE LABELED PROBES University Of Delaware (US) 2013-05-29 EP disclosed
WO-2012121746-A2 IMAGING BETA CELL MASS THE GENERAL HOSPITAL CORPORATION (US) 2012-09-13 WO disclosed
WO-2012012612-A2 TETRAZINE-TRANS-CYCLOOCTENE LIGATION FOR THE RAPID CONSTRUCTION OF RADIONUCLIDE LABELED PROBES UNIVERSITY OF DELAWARE (US) 2012-01-26 WO 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 (8 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-11850216-B2 18F labeling of proteins using sortases SORT1, ANPEP, SPG11 MGLL 1097/4885FAAH 2818/4885BCHE 1863/4885
US-20160287734-A1 18F LABELING OF PROTEINS USING SORTASES SORT1, ANPEP, SPG11 MGLL 1142/4885FAAH 2740/4885BCHE 1824/4885
US-20140056812-A1 Imaging Beta Cell Mass IAPP, GLP1R, GPR119 MGLL 1193/4885FAAH 2620/4885BCHE 525/4885
US-10434197-B2 Tetrazine-trans-cyclooctene ligation for the rapid construction of radionuclide labeled probes TTL, TALDO1, TTI1 MGLL 2081/4885FAAH 2480/4885BCHE 1310/4885
US-20200384137-A1 18F LABELING OF PROTEINS USING SORTASES SORT1, ANPEP, SPG11 MGLL 1097/4885FAAH 2818/4885BCHE 1863/4885
US-20130266512-A1 Tetrazine-trans-cyclooctene Ligation for the Rapid Construction of Radionuclide Labeled Probes TTL, TALDO1, TTI1 MGLL 2081/4885FAAH 2480/4885BCHE 1310/4885
US-10556024-B2 18F labeling of proteins using sortases SORT1, ANPEP, SPG11 MGLL 1142/4885FAAH 2740/4885BCHE 1824/4885
US-20160263250-A1 Imaging Beta Cell Mass IAPP, GLP1R, GPR119 MGLL 1193/4885FAAH 2620/4885BCHE 525/4885

“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.