SCHEMBL3764607

SCHEMBL3764607

N#CSCC(=O)c1cccc(C#N)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.64
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
VNN1 O95497 11/20 0.45
GRM5 P41594 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL12553326 0.87 GSK3B (0.68) GSK3BALDH1A1MAPTVNN1GRM5
SCHEMBL8105775 0.81 GSK3B (0.74) GSK3BALDH1A1MAPTVNN1GRM5
SCHEMBL3765830 0.81 MAPT (0.52) GSK3BALDH1A1MAPTHSP90AA1HPGD
SCHEMBL3765733 0.81 MAPT (0.56) ALDH1A1MAPTHSP90AA1HPGDHTT
SCHEMBL3973753 0.81 ALDH1A1 (0.52) GSK3BALDH1A1MAPTHSP90AA1HPGD
SCHEMBL3760982 0.81 MAPT (0.52) GSK3BALDH1A1MAPTHSP90AA1HPGD
SCHEMBL12553443 0.80 HSD17B10 (0.61) GSK3BALDH1A1MAPTHPGDVNN1
SCHEMBL1712250 0.80 GSK3B (0.72) GSK3BALDH1A1MAPTVNN1GRM5
SCHEMBL14415181 0.79 MAPT (0.51) GSK3BALDH1A1MAPTHSP90AA1HPGD
SCHEMBL955563 0.79 ALDH1A1 (0.56) GSK3BALDH1A1MAPTHSP90AA1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 GSK3B 4463/4885ALDH1A1 353/4885MAPT 3805/4885

“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.