SCHEMBL5457280

SCHEMBL5457280

O=C(Cc1cccc(Oc2ccccc2)c1)Nc1ccc(CN2C(=O)CSC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
GFER P55789 1/20 0.48
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PARP1 P09874 1/20 0.47
POLB P06746 1/20 0.46
MMP13 P45452 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
FAAH O00519 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCR8 P51685 1/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL5457394 0.92 ALDH1A1 (0.53) GSK3AGSK3BALDH1A1MEN1TSHR
SCHEMBL5468600 0.88 GSK3A (0.66) GSK3AGSK3BALDH1A1MEN1TSHR
SCHEMBL5457426 0.83 GSK3A (0.68) GSK3AGSK3BALDH1A1GAAPOLB
SCHEMBL5468829 0.82 HDAC1 (0.61) GSK3AGSK3BALDH1A1MEN1TSHR
SCHEMBL5465566 0.81 GAA (0.60) GSK3AGSK3BALDH1A1MEN1TSHR
SCHEMBL5462796 0.79 GSK3A (0.74) GSK3AGSK3BALDH1A1MEN1TSHR
SCHEMBL5457428 0.79 MEN1 (0.65) GSK3AGSK3BALDH1A1MEN1TSHR
SCHEMBL5468557 0.76 ALDH1A1 (0.52) GSK3AGSK3BALDH1A1MEN1TSHR
SCHEMBL19322286 0.76 RAB9A (0.64) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL5464395 0.75 HDAC1 (0.67) GSK3AGSK3BALDH1A1MEN1TSHR

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.