SCHEMBL491393

SCHEMBL491393

COc1ccc(CC2([N+](=O)[O-])CN(Cc3ccccc3)CCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.60
NR3C1 P04150 1/20 0.53
LMNA P02545 1/20 0.52
CYP2D6 P10635 3/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
FAAH O00519 1/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
ADAM17 P78536 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL491245 0.89 ALDH1A1 (0.54) SIGMAR1NR3C1LMNAALDH1A1KDM4E
SCHEMBL28217942 0.77 SIGMAR1 (1.00) SIGMAR1LMNAALDH1A1FAAHKDM4E
SCHEMBL12877532 0.77 ALDH1A1 (0.52) SIGMAR1LMNAALDH1A1KDM4E
SCHEMBL16311742 0.77 ALDH1A1 (0.52) SIGMAR1LMNATSHRALDH1A1KDM4E
SCHEMBL16311762 0.75 ALDH1A1 (0.45) LMNACYP2D6TSHRALDH1A1KDM4E
SCHEMBL12708630 0.75 ALDH1A1 (0.48) SIGMAR1LMNACYP2D6CYP3A4TSHR
SCHEMBL491199 0.75 ALDH1A1 (0.56) SIGMAR1LMNAALDH1A1KDM4E
SCHEMBL14307503 0.75 ALDH1A1 (0.50) SIGMAR1LMNAALDH1A1KDM4E
SCHEMBL12221880 0.74 MAPT (0.47) SIGMAR1LMNAALDH1A1KDM4E
SCHEMBL13254266 0.74 ALDH1A1 (0.42) SIGMAR1LMNACYP2D6ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules BRACCO IMAGING S.P.A. (IT) 2011-04-07 US disclosed
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules BRACCO IMAGING S.P.A. (IT) 2011-04-07 US disclosed
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules BRACCO IMAGING S.P.A. (IT) 2011-04-07 US disclosed
US-7893223-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING S.P.A. (IT) 2011-02-22 US disclosed
US-7893223-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING S.P.A. (IT) 2011-02-22 US disclosed
US-7893223-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING S.P.A. (IT) 2011-02-22 US disclosed
US-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy BRACCO IMAGING S.P.A (IT) 2010-03-18 US disclosed
US-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy BRACCO IMAGING S.P.A (IT) 2010-03-18 US disclosed
US-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy BRACCO IMAGING S.P.A (IT) 2010-03-18 US disclosed
EP-1904460-A1 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING S.p.A. (IT) 2008-04-02 EP disclosed
WO-2006136564-A9 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING SPA (IT) 2008-02-07 WO disclosed
WO-2006136564-A9 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING SPA (IT) 2008-02-07 WO 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

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 SIGMAR1 390/4885NR3C1 426/4885LMNA 3822/4885
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules CD99, CD209, PRMT9 SIGMAR1 1126/4885NR3C1 1334/4885LMNA 3899/4885
US-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy CD99, MB, HBZ SIGMAR1 2089/4885NR3C1 1225/4885LMNA 2782/4885

“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.