SCHEMBL490841

SCHEMBL490841

O=C1c2ccccc2C(=O)N1CCC[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ GLS O94925 1/20 0.50

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
SCHEMBL1569305 0.96 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1MAPTRAB9A
SCHEMBL4351612 0.80 TDP1 (0.66) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL6790333 0.80 TDP1 (0.71) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL2604742 0.78 TDP1 (0.75) TDP1L3MBTL1CYP1A2CYP2C19MEN1
SCHEMBL8863154 0.78 TDP1 (0.75) TDP1L3MBTL1CYP1A2CYP2C19MEN1
SCHEMBL8862878 0.78 TDP1 (0.75) TDP1L3MBTL1CYP1A2CYP2C19MEN1
SCHEMBL8863094 0.78 TDP1 (0.75) TDP1L3MBTL1CYP1A2CYP2C19MEN1
SCHEMBL8862728 0.78 TDP1 (0.75) TDP1L3MBTL1CYP1A2CYP2C19MEN1
SCHEMBL6777483 0.78 TDP1 (0.75) TDP1L3MBTL1CYP1A2CYP2C19MEN1
SCHEMBL10913065 0.78 MAPT (0.59) ALDH1A1TDP1L3MBTL1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 — — US disclosed
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 — — US disclosed
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 — — US disclosed
EP-1904460-B1 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING SPA (IT) 2012-05-16 — — EP disclosed
US-8105567-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2012-01-31 — — US disclosed
US-8105567-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2012-01-31 — — US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 — — US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 — — US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 — — US disclosed
US-7988950-B2 Contrast agents endowed with high relaxivity for use in magnetic resonance imaging (MRI) which contain a chelating moiety with polyhydroxylated substituents BRACCO IMAGING S.P.A. (IT) 2011-08-02 — — US disclosed
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents BRACCO IMAGING SPA (IT) 2007-11-08 — — US disclosed
EP-1786475-A2 1,4-BIS(CARBOXYMETHYL)-6-[BIS(CARBOXYMETHYL)AMINO]-6-METHYL-PERHYDRO-1,4-DIAZEPINE (AAZTA) DERIVATIVES AS LIGANDS IN HIGH RELAXIVITY CONTRAST AGENTS FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) Bracco Imaging, S.P.A. (IT) 2007-05-23 — — EP disclosed
EP-1765812-A1 CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN A CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS Bracco Imaging, S.P.A. (IT) 2007-03-28 — — EP disclosed
WO-2006136564-A1 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING S.P.A. (IT) 2006-12-28 — — WO disclosed
US-20060034773-A1 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2006-02-16 — — US disclosed
WO-2006002873-A2 1 , 4 -BIS (CARBOXYMETHYL) -6- ' BIS ( CARBOXYMETHYL) AMINO ! -6 -METHYL- PERHYDRO-1 , 4 DIAZEPINE (AAZTA) DERIVATIVES AS LIGANDS IN HIGH RELAXIVITY CONTRAST AGENTS FOR USE IN MAGNETIC RESONANCE IMAGING (MRI ) BRACCO IMAGING SPA (IT) 2006-01-12 — — WO disclosed
WO-2006002875-A1 CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN A CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS BRACCO IMAGING SPA (IT) 2006-01-12 — — WO disclosed
WO-2006002874-A1 CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN 1, 4, 7, 10-TERTRAAZACYCLODECAN-1, 4, 7-TRIACETIC ACID CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS BRACCO IMAGING SPA (IT) 2006-01-12 — — WO disclosed
CN-1073993-C Process for preparing bis (ether anhydrides) using alkylamine derived bismides having low melting temperatures GEN ELECTRIC (US) 2001-10-31 — — CN disclosed
CN-1121514-A Process for preparing bis (ether anhydrides) using alkylamine derived bismides having low melting temperatures GEN ELECTRIC (US) 1996-05-01 — — CN 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-20060034773-A1 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy SSTR3, MB, CA13 ALDH1A1 2501/4885TDP1 4539/4885L3MBTL1 1863/4885
US-20110256067-A1 Contrast agents endowed with high relaxivity SLC40A1, SLC67A1, SLC19A1 ALDH1A1 2186/4885TDP1 1664/4885L3MBTL1 3245/4885
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents RXFP1, SLC5A7, SLC40A1 ALDH1A1 2843/4885TDP1 1659/4885L3MBTL1 2173/4885

“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.

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