SCHEMBL2908429

SCHEMBL2908429

N#Cc1ccc(CN2C(=O)CSC2=S)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 7/20 0.66
GSK3B P49841 7/20 0.66
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 3/20 0.62
GAA P10253 2/20 0.62
MAPT P10636 2/20 0.62
THRB P10828 2/20 0.62
HTT P42858 2/20 0.62
RECQL P46063 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
POLB P06746 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PAX8 Q06710 1/20 0.43
PIK3CG P48736 1/20 0.41

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
SCHEMBL4399435 0.80 GSK3A (0.71) GSK3AGSK3BKMT2AMEN1ALDH1A1
SCHEMBL20339366 0.80 GSK3A (0.71) GSK3AGSK3BKMT2AMEN1ALDH1A1
SCHEMBL20339372 0.77 GSK3A (1.00) GSK3AGSK3BKMT2AMEN1ALDH1A1
SCHEMBL20339824 0.77 GSK3A (0.66) GSK3AGSK3BKMT2AMEN1ALDH1A1
SCHEMBL5468543 0.77 GSK3A (0.66) GSK3AGSK3BKMT2AMEN1ALDH1A1
SCHEMBL6793399 0.77 ALDH1A1 (1.00) GSK3AGSK3BKMT2AMEN1ALDH1A1
SCHEMBL28555685 0.76 ALDH1A1 (0.56) ALDH1A1POLBCYP19A1ADRA1DADRA1A
SCHEMBL15863164 0.75 GSK3A (0.64) GSK3AGSK3BKMT2AMEN1ALDH1A1
SCHEMBL5464121 0.74 GSK3A (0.76) GSK3AGSK3BKMT2AMEN1ALDH1A1
SCHEMBL5464124 0.74 GSK3A (0.76) GSK3AGSK3BKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065715-A1 Nogo Receptor Binding Small Molecules to Promote Axonal Growth YALE UNIVERSITY (US) 2011-03-17 US claimed
EP-2220499-A2 NOGO RECEPTOR BINDING SMALL MOLECULES TO PROMOTE AXONAL GROWTH Yale University (US) 2010-08-25 EP claimed
WO-2009073141-A2 NOGO RECEPTOR BINDING SMALL MOLECULES TO PROMOTE AXONAL GROWTH STRITTMATTER STEPHEN M (US) 2009-06-11 WO claimed
US-20110065715-A1 Nogo Receptor Binding Small Molecules to Promote Axonal Growth YALE UNIVERSITY (US) 2011-03-17 US disclosed
US-20110065715-A1 Nogo Receptor Binding Small Molecules to Promote Axonal Growth YALE UNIVERSITY (US) 2011-03-17 US disclosed
US-20110065715-A1 Nogo Receptor Binding Small Molecules to Promote Axonal Growth YALE UNIVERSITY (US) 2011-03-17 US disclosed
EP-2220499-A2 NOGO RECEPTOR BINDING SMALL MOLECULES TO PROMOTE AXONAL GROWTH Yale University (US) 2010-08-25 EP disclosed
WO-2009073141-A2 NOGO RECEPTOR BINDING SMALL MOLECULES TO PROMOTE AXONAL GROWTH STRITTMATTER STEPHEN M (US) 2009-06-11 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-20110065715-A1 Nogo Receptor Binding Small Molecules to Promote Axonal Growth NGFR, GAP43, BDNF GSK3A 1154/4885GSK3B 970/4885KMT2A 4600/4885

“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.