SCHEMBL10075899

SCHEMBL10075899

CSc1ccccc1/C=N/CC/N=C/c1ccccc1SC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.52
CA2 P00918 9/20 0.52
KDM4E B2RXH2 1/20 0.52
CA9 Q16790 7/20 0.44
CA1 P00915 4/20 0.39
CA7 P43166 1/20 0.39
BACE1 P56817 1/20 0.39
ALOX5 P09917 1/20 0.38
TAAR1 Q96RJ0 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.33
ABCB1 P08183 1/20 0.33
BCHE P06276 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL9959739 1.00 CA12 (0.52) CA12CA2KDM4ECA9CA1
SCHEMBL16935263 0.82 CA12 (0.37) CA12CA2KDM4ECA9CA1
SCHEMBL16935266 0.82 CA12 (0.37) CA12CA2KDM4ECA9CA1
SCHEMBL16945716 0.82 CA12 (0.37) CA12CA2KDM4ECA9CA1
SCHEMBL23229108 0.79 ALOX5 (0.40) KDM4EBACE1ALOX5ALDH1A1GAA
SCHEMBL5241647 0.78 ALDH1A1 (0.47) KDM4EBACE1ALOX5ALDH1A1
SCHEMBL3260265 0.78 ALDH1A1 (0.47) KDM4EBACE1ALOX5ALDH1A1
SCHEMBL9754407 0.74 SIRT2 (0.46) CA12CA2KDM4ECA9CA1
SCHEMBL14572070 0.74 ABCB1 (0.38) BACE1ALOX5ALDH1A1GAAPTGES2
SCHEMBL9754412 0.74 SIRT2 (0.46) CA12CA2KDM4ECA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655303-B1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES FIRMENICH & CIE (CH) 2017-02-22 EP disclosed
US-20130274487-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2013-10-17 US disclosed
WO-2012084810-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2012-06-28 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 (1 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-20130274487-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES ADH5, ADH1A, ADH1C CA12 1561/4885CA2 3668/4885KDM4E 1266/4885

“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.