SCHEMBL5455202

SCHEMBL5455202

O=C1CSC(=O)N1Cc1cccc(Nc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.68
GSK3B P49841 3/20 0.68
ALDH1A1 P00352 4/20 0.62
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
PPARG P37231 1/20 0.48
PIM1 P11309 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.43
TNIK Q9UKE5 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
KCNN4 O15554 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5455147 0.87 GSK3A (0.74) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL338442 0.82 GSK3A (1.00) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL26711297 0.82 GSK3A (0.57) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL5457426 0.78 GSK3A (0.68) GSK3AGSK3BALDH1A1PPARGPIM1
SCHEMBL5782807 0.77 GSK3A (0.67) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL7462946 0.77 GSK3A (0.67) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL29411719 0.77 ALDH1A1 (0.68) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL5455026 0.77 GSK3A (0.67) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL7460972 0.77 GSK3A (0.67) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL5455104 0.77 GSK3A (0.71) GSK3AGSK3BALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 GSK3A 2857/4885GSK3B 2838/4885ALDH1A1 1861/4885

“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.