SCHEMBL3680439

SCHEMBL3680439

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru](Cl)(Cl)=Cc2ccccc2OCCS)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR2A P28223 3/20 0.31
HTR7 P34969 3/20 0.31
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
ADRA1A P35348 2/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HTR6 P50406 1/20 0.31
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3682972 0.92 CDK4 (0.30)
SCHEMBL3698490 0.89 ALDH1A1 (0.38) TDP1DRD2MAPTL3MBTL1HPGD
SCHEMBL3680438 0.86
SCHEMBL1195613 0.85 ALOX5 (0.36) HTR2AHTR7L3MBTL1HPGDMAPK1
SCHEMBL16390545 0.84 NPC1 (0.37) CYP2C19MAPTL3MBTL1SMN1; SMN2
SCHEMBL3682970 0.82
SCHEMBL135939 0.82 MAPT (0.32) MAPT
SCHEMBL29365624 0.82 MAPT (0.32) MAPT
Hydrochloric Acid SCHEMBL2833170 0.81 MAPT (0.32) MAPT
Methane SCHEMBL23781973 0.80 HTT (0.33) TDP1MAPTL3MBTL1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718849-B2 Sulfur chelated ruthenium compounds useful as olefin metathesis catalysts BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2017-08-01 US disclosed
US-20140155511-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2014-06-05 US disclosed
US-8513151-B2 Sulfur chelated ruthenium compounds useful as olefin metathesis catalysts BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IS) 2013-08-20 US disclosed
US-20100113722-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2010-05-06 US disclosed
US-20090156766-A1 Sulfur chelated ruthenium compounds useful as olefin metathesis catalysts BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2009-06-18 US 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 (3 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-20090156766-A1 Sulfur chelated ruthenium compounds useful as olefin metathesis catalysts TST, MPST, NISCH TDP1 3185/4885CYP2D6 833/4885CYP2C19 2867/4885
US-20140155511-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS C1S, SCO2, AP1S1 TDP1 4270/4885CYP2D6 513/4885CYP2C19 2412/4885
US-20100113722-A1 SULFUR CHELATED RUTHENIUM COMPOUNDS USEFUL AS OLEFIN METATHESIS CATALYSTS C1S, SCO2, AP1S1 TDP1 4270/4885CYP2D6 513/4885CYP2C19 2412/4885

“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.