SCHEMBL819423

SCHEMBL819423

C[C@H](c1ccccc1)n1ccn([C@H](C)c2ccccc2)c1=[Ru](Cl)(Cl)(=Cc1ccccc1)=c1n([C@H](C)c2ccccc2)ccn1[C@H](C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
CYP2D6 P10635 1/20 0.38
BRD4 O60885 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MC4R P32245 1/20 0.34
MET P08581 5/20 0.33
P2RX7 Q99572 1/20 0.33
GABRA1 P14867 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CASP1 P29466 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL7950846 0.76 CYP2D6 (0.44) MEN1KMT2AHSD17B10HPGDCYP2D6
SCHEMBL8151923 0.67 MEN1 (0.50) MEN1KMT2AHSD17B10HPGDCYP2D6
SCHEMBL3841981 0.67 KDM4E (0.31) HPGDALDH1A1KDM4E
SCHEMBL818809 0.66 CYP2D6 (0.34) HPGDCYP2D6
SCHEMBL27881082 0.65 MEN1 (0.47) MEN1KMT2AHSD17B10HPGDCYP2D6
SCHEMBL10400587 0.65 MEN1 (0.47) MEN1KMT2AHSD17B10HPGDCYP2D6
SCHEMBL1006344 0.64
Carbon Monoxide SCHEMBL8145637 0.63 MEN1 (0.46) MEN1KMT2AHSD17B10HPGDCYP2D6
SCHEMBL28784153 0.62 BRD4 (0.48) MEN1KMT2AHSD17B10HPGDCYP2D6
Efetozole SCHEMBL21698044 0.62 BRD4 (0.51) MEN1KMT2AHSD17B10HPGDCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038723-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS EVONIK DEGUSSA GMBH (DE) 2015-02-05 US disclosed
US-8153810-B2 Alkylidene complexes of ruthenium containing N-heterocyclic carbene ligands; use as highly active, selective catalysts for olefin metathesis EVONIK DEGUSSA GMBH (DE) 2012-04-10 US disclosed
US-20110282068-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS EVONIK DEGUSSA GMBH (DE) 2011-11-17 US disclosed
US-20080207911-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS EVONIK DEGUSSA GMBH (DE) 2008-08-28 US disclosed
US-7378528-B2 Alkylidene complexes of ruthenium containing N-heterocyclic carbene ligands; use as highly active, selective catalysts for olefin metathesis EVONIK DEGUSSA GMBH (DE) 2008-05-27 US disclosed
US-20080009598-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS DEGUSSA AG (DE) 2008-01-10 US disclosed
EP-1087838-B1 ALKYLIDENE COMPLEXES OF RUTHENIUM WITH N-HETEROCYCLIC CARBENE LIGANDS AND THEIR USE AS CATALYSTS FOR OLEFIN METATHESIS DEGUSSA (DE) 2005-05-25 EP disclosed
US-20050013150-A2 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS Aventis Research @$amp; Technologies GmbH @$amp; Co. KG (DE) 2005-01-20 US disclosed
US-20040095792-A1 Alkylidene complexes of ruthenium containing N-heterocyclic carbene ligands; use as highly active, selective catalysts for olefin metathesis HERRMANN WOLFGANG ANTON (DE) 2004-05-20 US disclosed
US-6635768-B1 Inexpensive, highly active catalysts; high tolerance toward a variety of functional groups but also a wide range of possible variations in the ligand sphere DEGUSSA AG (DE) 2003-10-21 US disclosed
EP-1087838-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM WITH N-HETEROCYCLIC CARBENE LIGANDS AND THEIR USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS Aventis Research & Technologies GmbH & Co. KG (DE) 2001-04-04 EP disclosed
WO-1999051344-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM WITH N-HETEROCYCLIC CARBENE LIGANDS AND THEIR USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-10-14 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 (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-20110282068-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS CBR1, NR2E1, OXER1 MEN1 978/4885KMT2A 4210/4885HSD17B10 1874/4885
US-20150038723-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS OXER1, CBR1, AKR1C4 MEN1 1333/4885KMT2A 3240/4885HSD17B10 1421/4885
US-20080207911-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS CBR1, NR2E1, OXER1 MEN1 911/4885KMT2A 4198/4885HSD17B10 1882/4885
US-20080009598-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS CBR1, NR2E1, OXER1 MEN1 911/4885KMT2A 4198/4885HSD17B10 1882/4885

“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.