SCHEMBL2565537

SCHEMBL2565537

Clc1cccnc1N=Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 8/20 0.41
MEN1 O00255 6/20 0.41
GLO1 Q04760 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
OPRK1 P41145 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
SCHEMBL28344871 0.88 TDP1 (0.39) ALDH1A1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL2266833 0.77 CYP3A4 (0.64) TRPA1MAOAMAOBALDH1A1KMT2A
SCHEMBL2266835 0.77 CYP3A4 (0.64) TRPA1MAOAMAOBALDH1A1KMT2A
SCHEMBL4780554 0.77 KMT2A (0.53) TRPA1MAOAMAOBALDH1A1KMT2A
SCHEMBL21189180 0.71
SCHEMBL699210 0.70 AGTR1 (0.43) ALDH1A1KMT2AMEN1CYP2C9CYP1A2
SCHEMBL3079314 0.70 MAOA (0.61) TRPA1MAOAMAOBALDH1A1KMT2A
SCHEMBL3079313 0.70 MAOA (0.61) TRPA1MAOAMAOBALDH1A1KMT2A
SCHEMBL4958276 0.69 KMT2A (0.50) TRPA1MAOAMAOBALDH1A1KMT2A
SCHEMBL1405328 0.69 ALDH1A1 (0.57) TRPA1ALDH1A1KMT2AMEN1CYP3A4

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 9 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
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 TRPA1 2091/4885MAOA 4342/4885MAOB 3959/4885
US-20130040925-A1 OSMIUM (II) ARENE AZO ANTI-CANCER COMPLEXES TP53, SLC30A5, IDH1 TRPA1 2091/4885MAOA 4342/4885MAOB 3959/4885

“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.