SCHEMBL2562282

SCHEMBL2562282

C[C@@H](N=Cc1ccccn1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.51
NR4A1 P22736 1/20 0.49
USP2 O75604 2/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
G6PC1 P35575 1/20 0.44

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
SCHEMBL2558333 1.00 MAOA (0.51) MAOANR4A1USP2ALDH1A1MAPT
SCHEMBL9914144 1.00 MAOA (0.51) MAOANR4A1USP2ALDH1A1MAPT
SCHEMBL6823748 1.00 MAOA (0.51) MAOANR4A1USP2ALDH1A1MAPT
SCHEMBL7620931 1.00 MAOA (0.51) MAOANR4A1USP2ALDH1A1MAPT
SCHEMBL16471843 0.89 L3MBTL1 (0.47) MAOANR4A1USP2ALDH1A1MAPT
SCHEMBL16478537 0.85 RAB9A (0.45) MAOANR4A1USP2ALDH1A1MAPT
SCHEMBL16478538 0.84 PDE2A (0.47) MAOANR4A1USP2ALDH1A1MAPT
SCHEMBL16459872 0.83 MAOA (0.49) MAOANR4A1USP2ALDH1A1MEN1
SCHEMBL16459874 0.83 MAOA (0.49) MAOANR4A1USP2ALDH1A1MEN1
SCHEMBL20526848 0.82 MAOA (0.55) MAOANR4A1USP2ALDH1A1MAPT

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 4342/4885NR4A1 1364/4885USP2 4186/4885
US-20130040925-A1 OSMIUM (II) ARENE AZO ANTI-CANCER COMPLEXES TP53, SLC30A5, IDH1 MAOA 4342/4885NR4A1 1364/4885USP2 4186/4885

“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.