SCHEMBL29460403

SCHEMBL29460403

NC(N)=NCc1cccc([211At])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.71
GRIN2D O15399 3/20 0.71
GRIN3B O60391 3/20 0.71
GRIN1 Q05586 3/20 0.71
GRIN2A Q12879 3/20 0.71
GRIN2C Q14957 3/20 0.71
GRIN3A Q8TCU5 3/20 0.71
HTR3E A5X5Y0 2/20 0.65
HTR3B O95264 2/20 0.65
HTR3A P46098 2/20 0.65
HTR3D Q70Z44 2/20 0.65
HTR3C Q8WXA8 2/20 0.65
HTR1A P08908 1/20 0.62
ADRA2A P08913 1/20 0.62
MAOA P21397 1/20 0.62
DRD1 P21728 1/20 0.62
SLC6A2 P23975 1/20 0.62
ADRA1A P35348 1/20 0.62
OPRM1 P35372 1/20 0.62
DRD3 P35462 1/20 0.62

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
SCHEMBL23521033 0.78 GRIN2B (0.74) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15903395 0.77 TAAR1 (0.73) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
Iobenguane I 131 SCHEMBL29431814 0.77 GRIN2B (0.71) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL538276 0.77 HTR3E (0.96) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
M-Fluorobenzylguanidine SCHEMBL4335227 0.77 TAAR1 (0.75) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
Iobenguane SCHEMBL140592 0.77 CYP1A2 (1.00) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
Iobenguane I 123 SCHEMBL29381016 0.77 HTR1A (1.00) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
Iobenguane SCHEMBL16040804 0.76 CYP1A2 (0.96) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL45769 0.74 GRIN2B (0.68) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8661054 0.73 GRIN2B (0.65) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4148018-B1 SIMPLE ASTATINE CONCENTRATION METHOD INST OF SCIENCE TOKYO (JP) 2025-09-24 EP disclosed
US-20250152757-A1 Radiopharmaceutical Compositions of Radioactive Halogenated Benzylguandine JUBILANT DRAXIMAGE INC (CA) 2025-05-15 US disclosed
US-20250032649-A1 Radiopharmaceutical Compositions of Radioactive Halogenated Benzylguandine JUBILANT DRAXIMAGE INC (CA) 2025-01-30 US disclosed
CN-113301920-B Complexes comprising a ligand, a spacer, a peptide linker and a biomolecule 安斯泰来制药株式会社 2025-01-14 CN disclosed
US-20230373881-A1 SIMPLE ASTATINE CONCENTRATION METHOD TOKYO INSTITUTE OF TECHNOLOGY (JP) 2023-11-23 US disclosed
EP-4148018-A1 SIMPLE ASTATINE CONCENTRATION METHOD Tokyo Institute of Technology (JP) 2023-03-15 EP disclosed
US-20220354974-A1 REAGENTS AND METHODS FOR LABELING MOLECULES WITH ASTATINE ISOTOPES IN HIGHER OXIDATION STATES UNIVERSITY OF WASHINGTON (US) 2022-11-10 US disclosed
US-20220296734-A1 RADIOPHARMACEUTICAL COMPOSITIONS OF RADIOACTIVE HALOGENATED BENZYLGUANIDINE JUBILANT DRAXIMAGE INC. (CA) 2022-09-22 US disclosed
US-11351276-B2 Radiopharmaceutical compositions of radioactive halogenated benzylguanidine JUBILANT DRAXIMAGE INC. (CA) 2022-06-07 US disclosed
US-20220105194-A1 CONJUGATE COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE ASTELLAS PHARMA INC. (JP) 2022-04-07 US disclosed
US-20220096653-A1 CONJUGATE COMPRISING LIGAND AND CEACAM5 ANTIBODY FAB FRAGMENT ASTELLAS PHARMA INC. (JP) 2022-03-31 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 (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-20220105194-A1 CONJUGATE COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE MUC1, CA14, CA13 GRIN2B 2340/4885GRIN2D 1610/4885GRIN3B 632/4885
US-20220354974-A1 REAGENTS AND METHODS FOR LABELING MOLECULES WITH ASTATINE ISOTOPES IN HIGHER OXIDATION STATES AADAT, CKMT1A; CKMT1B, MB GRIN2B 1418/4885GRIN2D 1248/4885GRIN3B 454/4885
US-20220296734-A1 RADIOPHARMACEUTICAL COMPOSITIONS OF RADIOACTIVE HALOGENATED BENZYLGUANIDINE VHL, GCG, RB1 GRIN2B 4076/4885GRIN2D 4412/4885GRIN3B 3642/4885
US-11351276-B2 Radiopharmaceutical compositions of radioactive halogenated benzylguanidine VHL, GCG, RB1 GRIN2B 4076/4885GRIN2D 4412/4885GRIN3B 3642/4885
US-20230373881-A1 SIMPLE ASTATINE CONCENTRATION METHOD VIM, POLH, ALPL GRIN2B 1751/4885GRIN2D 2417/4885GRIN3B 1216/4885
US-20220096653-A1 CONJUGATE COMPRISING LIGAND AND CEACAM5 ANTIBODY FAB FRAGMENT SIGLEC7, TNFSF11, FCGR2A GRIN2B 3540/4885GRIN2D 3893/4885GRIN3B 2522/4885
US-20250152757-A1 Radiopharmaceutical Compositions of Radioactive Halogenated Benzylguandine GCG, VHL, SHBG GRIN2B 4220/4885GRIN2D 4393/4885GRIN3B 3811/4885
US-20250032649-A1 Radiopharmaceutical Compositions of Radioactive Halogenated Benzylguandine GCG, VHL, SHBG GRIN2B 4220/4885GRIN2D 4393/4885GRIN3B 3811/4885

“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.