SCHEMBL491264

SCHEMBL491264

NC1(Cc2ccccc2)CNCCNC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.61
MAOB P27338 7/20 0.61
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 5/20 0.42
CYP2D6 P10635 5/20 0.42
KDM1A O60341 4/20 0.42
KCNH2 Q12809 2/20 0.38
HTR2A P28223 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
GBA1 P04062 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 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
SCHEMBL4974150 0.89 MAOA (0.62) MAOAMAOBSLC6A2SLC6A4SLC6A3
SCHEMBL6633817 0.89 MAOA (0.62) MAOAMAOBSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2035754 0.87 MAOA (0.60) MAOAMAOBSLC6A2SLC6A4SLC6A3
SCHEMBL12585537 0.80 MAOA (0.73) MAOAMAOBSLC6A2SLC6A4SLC6A3
SCHEMBL491284 0.77 IDO1 (0.42) MAOBSLC6A4CYP2D6SIGMAR1
SCHEMBL7744524 0.77 CXCR4 (0.37) MAOAMAOBCYP3A4TSHR
SCHEMBL1318340 0.76 MAOA (1.00) MAOAMAOBKDM1A
SCHEMBL19614289 0.74 CYP2D6 (0.46) MAOAMAOBSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1318464 0.74 MAOA (0.95) MAOAMAOBKDM1A
SCHEMBL11374161 0.73 MAOA (0.57) MAOAMAOBKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2047841-B1 HAIR DYE COMPOSITION KAO CORP (JP) 2016-10-26 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-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-20100000564-A1 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-01-07 US disclosed
US-20100000564-A1 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-01-07 US disclosed
EP-2047841-A1 HAIR DYE COMPOSITION Kao Corporation (JP) 2009-04-15 EP 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 (4 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 MAOA 409/4885MAOB 428/4885SLC6A2 2655/4885
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules CD99, CD209, PRMT9 MAOA 376/4885MAOB 327/4885SLC6A2 1633/4885
US-20100000564-A1 HAIR DYE COMPOSITION COXFA4L2, TYR, PAH MAOA 177/4885MAOB 150/4885SLC6A2 2796/4885
US-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy CD99, MB, HBZ MAOA 615/4885MAOB 511/4885SLC6A2 1310/4885

“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.