SCHEMBL2564016

SCHEMBL2564016

Clc1ccc(N=Nc2ccccc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
PLAU P00749 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TRPA1 O75762 2/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HSP90AB1 P08238 1/20 0.40
APAF1 O14727 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40

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
SCHEMBL23120078 1.00 MAOA (0.55) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL7913558 0.85 ADRA2A (0.59) ADRA2AADRA2BADRA2CPLAUALDH1A1
SCHEMBL7913597 0.81 MAOA (0.55) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL13915657 0.77 MAOA (0.55) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL28860012 0.77 MAOA (0.55) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL3283243 0.74 ALDH1A1 (0.67) ALDH1A1TRPA1KMT2AMEN1ATM
SCHEMBL3283246 0.74 ALDH1A1 (0.67) ALDH1A1TRPA1KMT2AMEN1ATM
SCHEMBL20865423 0.73 MAOA (0.71) MAOAMAOBADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL29087184 0.72 ALDH1A1 (0.63) ALDH1A1TRPA1KMT2AMEN1ATM
SCHEMBL2560994 0.72 MAOA (0.58) MAOAMAOBALDH1A1TRPA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110746465-B Osmium complex, preparation method and application thereof 深圳大学 2021-03-30 CN claimed
WO-2021051709-A1 OSMIUM COMPLEX, PREPARATION METHOD THEREFOR AND USE THEREOF 深圳大学 2021-03-25 WO claimed
CN-110746465-A Osmium complex, preparation method and application thereof 深圳大学 2020-02-04 CN claimed
CN-110746465-B Osmium complex, preparation method and application thereof 深圳大学 2021-03-30 CN disclosed
CN-110746465-B Osmium complex, preparation method and application thereof 深圳大学 2021-03-30 CN disclosed
WO-2021051709-A1 OSMIUM COMPLEX, PREPARATION METHOD THEREFOR AND USE THEREOF 深圳大学 2021-03-25 WO disclosed
CN-110746465-A Osmium complex, preparation method and application thereof 深圳大学 2020-02-04 CN disclosed
CN-110746465-A Osmium complex, preparation method and application thereof 深圳大学 2020-02-04 CN disclosed
CN-108690619-A The preparation method of rare earth metal adulterated with Ca and Ti ore quantum dot TCL集团股份有限公司 2018-10-23 CN disclosed
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
CN-103575728-B Based on filter paper, colorimetric sensor array is used for trace heavy metal ion detection method 中国科学院大连化学物理研究所 2016-12-21 CN disclosed
US-20160272663-A1 OSMIUM (II) ARENE AZO ANTI-CANCER COMPLEXES UNIVERSITY OF WARWICK (GB) 2016-09-22 US disclosed
CN-103108880-B Osmium (II) aromatic hydrocarbons azo and imino group anticancer complexes 华威大学 2016-08-03 CN 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 3959/4885ADRA2A 2679/4885
US-20130040925-A1 OSMIUM (II) ARENE AZO ANTI-CANCER COMPLEXES TP53, SLC30A5, IDH1 MAOA 4342/4885MAOB 3959/4885ADRA2A 2679/4885

“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.