SCHEMBL2561898

SCHEMBL2561898

[Ru].c1ccc(/N=N/c2ccccn2)cc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.96
MAOB P27338 2/20 0.96
ALDH1A1 P00352 2/20 0.52
MAPT P10636 3/20 0.46
HTT P42858 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
OPRK1 P41145 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
TRPA1 O75762 1/20 0.46
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45

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
SCHEMBL2561900 1.00 MAOA (0.96) MAOAMAOBALDH1A1MAPTHTT
SCHEMBL670018 0.98 MAOA (1.00) MAOAMAOBALDH1A1MAPTHTT
SCHEMBL670019 0.98 MAOA (1.00) MAOAMAOBALDH1A1MAPTHTT
Benzene SCHEMBL10803509 0.89 MAOA (0.82) MAOAMAOBALDH1A1MAPTHTT
SCHEMBL29785641 0.86 MAOA (0.77) MAOAMAOBALDH1A1MAPTHTT
SCHEMBL2470956 0.86 MAOA (0.77) MAOAMAOBALDH1A1MAPTHTT
SCHEMBL275526 0.86 MAOA (0.77) MAOAMAOBALDH1A1MAPTHTT
SCHEMBL2557888 0.84 MAOA (0.74) MAOAMAOBALDH1A1MAPTHTT
SCHEMBL4417764 0.82 MAOA (0.71) MAOAMAOBALDH1A1MAPTHTT
SCHEMBL10596667 0.82 MAOA (0.71) MAOAMAOBALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3205657-A1 OSMIUM (II) ARENE IMINO ANTI-CANCER COMPLEXES University of Warwick (GB) 2017-08-16 EP disclosed
US-9598448-B2 Osmium (II) arene imino anti-cancer complexes UNIVERSITY OF WARWICK (GB) 2017-03-21 US disclosed
EP-2560980-B1 OSMIUM (II) ARENE AZO ANTI-CANCER COMPLEXES UNIV WARWICK (GB) 2017-01-25 EP disclosed
US-20160272663-A1 OSMIUM (II) ARENE AZO ANTI-CANCER COMPLEXES UNIVERSITY OF WARWICK (GB) 2016-09-22 US disclosed
US-9296772-B2 Osmium (II) arene azo anti-cancer complexes THE UNIVERSITY OF WARWICK (GB) 2016-03-29 US disclosed
EP-2560980-A2 OSMIUM (II) ARENE AZO ANTI-CANCER COMPLEXES University of Warwick (GB) 2013-02-27 EP disclosed
US-20130040925-A1 OSMIUM (II) ARENE AZO ANTI-CANCER COMPLEXES UNIVERSITY OF WARWICK (GB) 2013-02-14 US disclosed
WO-2011131925-A2 OSMIUM (II) ARENE AZO ANTI-CANCER COMPLEXES UNIVERSITY OF WARWICK (GB) 2011-10-27 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 (2 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-20160272663-A1 OSMIUM (II) ARENE AZO ANTI-CANCER COMPLEXES TP53, SLC30A5, IDH1 MAOA 4342/4885MAOB 3959/4885ALDH1A1 1108/4885
US-20130040925-A1 OSMIUM (II) ARENE AZO ANTI-CANCER COMPLEXES TP53, SLC30A5, IDH1 MAOA 4342/4885MAOB 3959/4885ALDH1A1 1108/4885

“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.