SCHEMBL6844025

SCHEMBL6844025

O=C(O)N1CCNCCN(C(=O)O)CCN(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA9 Q16790 1/20 0.54
CHKA P35790 1/20 0.52
CHRNB2 P17787 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
CHRNB3 Q05901 1/20 0.50
CHRNA6 Q15825 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
POLB P06746 1/20 0.42
HSD11B1 P28845 1/20 0.42
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
EPHX2 P34913 1/20 0.38
HPGD P15428 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL31040426 1.00 CA2 (0.54) CA2CA12CA1CA9CHKA
SCHEMBL32689447 0.97 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL31505510 0.97 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL6961568 0.97
SCHEMBL15319 0.97
SCHEMBL17100538 0.97 CA2 (0.56) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL125486 0.94 CA2 (0.54) CA2CA12CA1CA9CHKA
Ammonia Solution, Strong SCHEMBL4674734 0.94 CA2 (0.54) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL1408979 0.94 CA2 (0.54) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL18116041 0.94 CA2 (0.54) CA2CA12CA1CA9CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637398-B2 Radiohalogen prosthetic moieties and radiolabeled biomolecules DUKE UNIVERSITY (US) 2026-05-26 US disclosed
CN-119192092-B Water-soluble signal enhanced high-fluorine-content molecular imaging probe and preparation method thereof 厦门大学 2025-10-14 CN disclosed
EP-4529540-A1 HER2-BINDING AGENTS AND USES THEREOF Cereius, Inc. (US) 2025-04-02 EP disclosed
CN-119604536-A HER2 binding agents and uses thereof 塞雷乌斯股份有限公司 2025-03-11 CN disclosed
CN-119192092-A Water-soluble signal enhanced high-fluorine-content molecular imaging probe and preparation method thereof 厦门大学 2024-12-27 CN disclosed
WO-2023230488-A1 HER2-BINDING AGENTS AND USES THEREOF CEREIUS, INC. (US) 2023-11-30 WO disclosed
US-20230002293-A1 RADIOHALOGEN PROSTHETIC MOIETIES AND RADIOLABELED BIOMOLECULES UNIV DUKE (US) 2023-01-05 US disclosed
EP-4058423-A1 RADIOHALOGEN PROSTHETIC MOIETIES AND RADIOLABELED BIOMOLECULES Duke University (US) 2022-09-21 EP disclosed
WO-2021096968-A1 RADIOHALOGEN PROSTHETIC MOIETIES AND RADIOLABELED BIOMOLECULES DUKE UNIVERSITY (US) 2021-05-20 WO disclosed
US-6770020-B2 NEUTRON CAPTURE THERAPY (NCT) USING GADOLINIUM DIETHYLENETRIAMINEPENTAACETIC ACID; TREATING GLIOBLASTOMAS, GLIOMAS WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-08-03 US disclosed
US-20030049202-A1 Method of using gadolinium neutron capture to treat cancers WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-03-13 US disclosed
US-5573752-A Aromatic amide compounds and metal chelates thereof BRACCO INTERNATIONAL B.V. 1996-11-12 US disclosed
WO-1995027705-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO INTERNATIONAL B.V. (NL) 1995-10-19 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 (3 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-20230002293-A1 RADIOHALOGEN PROSTHETIC MOIETIES AND RADIOLABELED BIOMOLECULES CD47, SHBG, KLK3 CA2 2680/4885CA12 187/4885CA1 1260/4885
US-20030049202-A1 Method of using gadolinium neutron capture to treat cancers NUCB2, MKI67, GMNN CA2 212/4885CA12 229/4885CA1 304/4885
US-12637398-B2 Radiohalogen prosthetic moieties and radiolabeled biomolecules CD47, KLK3, SHBG CA2 3256/4885CA12 252/4885CA1 2418/4885

“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.