SCHEMBL589178

SCHEMBL589178

COc1ccc2ccc(=S)[nH]c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.56
SIRT1 Q96EB6 1/20 0.56
CLK1 P49759 4/20 0.49
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
DYRK1A Q13627 4/20 0.37
CLK2 P49760 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
DYRK1B Q9Y463 2/20 0.37
CLK3 P49761 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL586544 0.77 CLK1 (0.49) SIRT2SIRT1CLK1ADORA2AADORA1
SCHEMBL1150426 0.76 BRD4 (0.50) SIRT2SIRT1CLK1KMT2AMEN1
SCHEMBL13958735 0.73 CLK1 (0.57) SIRT2SIRT1CLK1ALDH1A1KMT2A
SCHEMBL588819 0.69 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL25723828 0.69 CLK1 (0.53) SIRT2SIRT1CLK1KMT2AMEN1
SCHEMBL16371564 0.68 SIRT2 (0.46) SIRT2SIRT1CLK1ALDH1A1KMT2A
SCHEMBL23147961 0.67 CLK1 (0.50) SIRT2SIRT1CLK1ALDH1A1KMT2A
SCHEMBL18969594 0.67 CLK1 (0.50) SIRT2SIRT1CLK1ALDH1A1KDM4E
SCHEMBL23169999 0.67 CLK1 (0.50) SIRT2SIRT1CLK1ALDH1A1KDM4E
SCHEMBL600970 0.67 CLK1 (0.50) SIRT2SIRT1CLK1KMT2AMEN1

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-8450243-B2 Herbicidal quinoline and 1,8-naphthyridine compounds SYNGENTA LIMITED (GB) 2013-05-28 US disclosed
EP-2417132-B1 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS SYNGENTA LTD (GB) 2013-04-17 EP disclosed
US-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2012-04-19 US disclosed
EP-2417132-A2 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS Syngenta Limited (GB) 2012-02-15 EP disclosed
WO-2010116122-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-10-14 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 (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-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS NQO2, QDPR, CYP4X1 SIRT2 896/4885SIRT1 831/4885CLK1 3269/4885

“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.