SCHEMBL10063607

SCHEMBL10063607

c1ccc(CN2CCNCCNCC2)cc1

nearest known ligand 0.96

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.96
CXCR4 P61073 10/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
CHRM2 P08172 1/20 0.67
CHRM1 P11229 1/20 0.67
ADRA2C P18825 1/20 0.67
CCR2 P41597 1/20 0.67
CXCL12 P48061 1/20 0.67
BLM P54132 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
HRH3 Q9Y5N1 1/20 0.67
ALDH1A1 P00352 1/20 0.66
CYP2C9 P11712 1/20 0.66
TSHR P16473 1/20 0.66
CYP2C19 P33261 1/20 0.66
HIF1A Q16665 1/20 0.66
MC4R P32245 1/20 0.57
DRD4 P21917 1/20 0.55

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
Piperazine SCHEMBL28115310 1.00 SIGMAR1 (0.96) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL7062479 1.00 SIGMAR1 (0.96) SIGMAR1CXCR4MEN1KMT2ACHRM2
Hydrochloric Acid SCHEMBL8034018 0.98 SIGMAR1 (0.92) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL9538814 0.98 SIGMAR1 (0.92) SIGMAR1CXCR4MEN1KMT2ACHRM2
Bromide SCHEMBL21961924 0.98 SIGMAR1 (0.92) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL6138636 0.98 SIGMAR1 (1.00) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL83548 0.98 SIGMAR1 (1.00) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL152631 0.98 SIGMAR1 (1.00) SIGMAR1CXCR4MEN1KMT2ACHRM2
SCHEMBL276363 0.98 SIGMAR1 (1.00) SIGMAR1CXCR4MEN1KMT2ACHRM2
Benzene SCHEMBL27761330 0.98 SIGMAR1 (1.00) SIGMAR1CXCR4MEN1KMT2ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025120059-A1 COMPOUND FOR DISORDERS ASSOCIATED WITH EXCESS AND/OR ACCUMULATION OF IRON IONS BRACCO IMAGING SPA (IT) 2025-06-12 WO claimed
EP-4561995-B1 1,4-BIS-(2-HYDROXY-BENZYL)-1,4,7-TRIAZACYCLONONANE DERIVATIVES AND SIMILAR COMPOUNDS AS LIGANDS IN IRON(III) COMPLEXES FOR USE AS MRI CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2026-05-27 EP disclosed
US-12358880-B2 1,4-bis-(2-hydroxy-benzyl)-1,4,7-triazacyclononane derivatives and similar compounds as ligands in iron(III) complexes for use as MRI contrast agents BRACCO IMAGING S.P.A. (IT) 2025-07-15 US disclosed
WO-2025120059-A1 COMPOUND FOR DISORDERS ASSOCIATED WITH EXCESS AND/OR ACCUMULATION OF IRON IONS BRACCO IMAGING SPA (IT) 2025-06-12 WO disclosed
US-20250163007-A1 1,4-BIS-(2-HYDROXY-BENZYL)-1,4,7-TRIAZACYCLONONANE DERIVATIVES AND SIMILAR COMPOUNDS AS LIGANDS IN IRON(III) COMPLEXES FOR USE AS MRI CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2025-05-22 US disclosed
CN-119735561-A Preparation method, purification method and derivative of mono-benzyl substituted triazacyclononane 上海凌凯科技股份有限公司 2025-04-01 CN disclosed
CN-119343336-A 1, 4-Bis- (2-hydroxy-benzyl) -1,4, 7-triazacyclononane derivatives and similar compounds as ligands in iron (III) complexes for use as MRI contrast agents 伯拉考成像股份公司 2025-01-21 CN disclosed
US-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-05-31 US disclosed
US-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-05-31 US disclosed
CN-113646009-A Compounds comprising anionic side groups and auxiliary groups for use as iron (III) MRI contrast agents 纽约州立大学研究基金会 2021-11-12 CN disclosed
US-20130287685-A1 HER2 BINDING PEPTIDES LABELED WITH ALUMINIUM-[18] FLUORIDE COMPLEXED BY NOTA GE HEALTHCARE LIMITED (GB) 2013-10-31 US disclosed
US-20130287685-A1 HER2 BINDING PEPTIDES LABELED WITH ALUMINIUM-[18] FLUORIDE COMPLEXED BY NOTA GE HEALTHCARE LIMITED (GB) 2013-10-31 US disclosed
US-20130156851-A1 LIPOMACROCYCLES AND USES THEREOF AGAVE PHARMA, INCORPORATED 2013-06-20 US disclosed
US-20130156851-A1 LIPOMACROCYCLES AND USES THEREOF AGAVE PHARMA, INCORPORATED 2013-06-20 US disclosed
WO-2013060793-A1 BIFUNCTIONAL LIGANDS FOR RADIOMETALS Technische Universität München (DE) 2013-05-02 WO disclosed
WO-2013060793-A1 BIFUNCTIONAL LIGANDS FOR RADIOMETALS Technische Universität München (DE) 2013-05-02 WO disclosed
WO-2012087912-A1 HER2 BINDING PEPTIDES LABELLED WITH A 18F - CONTAINING ORGANOSILICON COMPOUND GE HEALTHCARE LIMITED (GB) 2012-06-28 WO disclosed
WO-2012087908-A1 HER2 BINDING PEPTIDES LABELED WITH ALUMINIUM-[18] FLUORIDE COMPLEXED BY NOTA GE HEALTHCARE LIMITED (GB) 2012-06-28 WO disclosed
US-7270683-B2 A triazacyclononane compound, hydrogen peroxide as an oxidizing agent, a base, and ethylenediaminetetraacetic acid, ethylenediaminehydroxyethyltriacetic acid, or diethylenetriaminepentaacetic acid; improved bleaching ability, bright color tone, reduced hair damage and scalp irritation KAO CORPORATION (JP) 2007-09-18 US disclosed
US-7270683-B2 A triazacyclononane compound, hydrogen peroxide as an oxidizing agent, a base, and ethylenediaminetetraacetic acid, ethylenediaminehydroxyethyltriacetic acid, or diethylenetriaminepentaacetic acid; improved bleaching ability, bright color tone, reduced hair damage and scalp irritation KAO CORPORATION (JP) 2007-09-18 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 (5 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-20250163007-A1 1,4-BIS-(2-HYDROXY-BENZYL)-1,4,7-TRIAZACYCLONONANE DERIVATIVES AND SIMILAR COMPOUNDS AS LIGANDS IN IRON(III) COMPLEXES FOR USE AS MRI CONTRAST AGENTS TFRC, FTH1, FECH SIGMAR1 256/4885CXCR4 2343/4885MEN1 441/4885
US-20130287685-A1 HER2 BINDING PEPTIDES LABELED WITH ALUMINIUM-[18] FLUORIDE COMPLEXED BY NOTA ERBB2, EGFR, ERBB3 SIGMAR1 2965/4885CXCR4 1713/4885MEN1 210/4885
US-12358880-B2 1,4-bis-(2-hydroxy-benzyl)-1,4,7-triazacyclononane derivatives and similar compounds as ligands in iron(III) complexes for use as MRI contrast agents TFRC, FTH1, FECH SIGMAR1 256/4885CXCR4 2343/4885MEN1 441/4885
US-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups SLC40A1, TAC3, ABCB7 SIGMAR1 1907/4885CXCR4 3633/4885MEN1 151/4885
US-20130156851-A1 LIPOMACROCYCLES AND USES THEREOF LIPC, LIPA, LIPE SIGMAR1 3061/4885CXCR4 373/4885MEN1 1689/4885

“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.