SCHEMBL5468359

SCHEMBL5468359

O=C(Cc1ccc(CN2C(=O)CSC2=O)cc1)NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.66
GSK3B P49841 2/20 0.66
HDAC1 Q13547 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
ALDH1A1 P00352 4/20 0.54
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
BACE1 P56817 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL5468600 0.85 GSK3A (0.66) GSK3AGSK3BHDAC1HDAC6ALDH1A1
SCHEMBL338442 0.81 GSK3A (1.00) GSK3AGSK3BHDAC1HDAC6ALDH1A1
SCHEMBL6992265 0.78 GSK3A (0.79) GSK3AGSK3BHDAC1HDAC6ALDH1A1
SCHEMBL7252535 0.77 GSK3A (0.82) GSK3AGSK3BHDAC1HDAC6ALDH1A1
SCHEMBL5457428 0.76 MEN1 (0.65) GSK3AGSK3BHDAC1HDAC6ALDH1A1
SCHEMBL5457409 0.76 GSK3A (0.81) GSK3AGSK3BHDAC1HDAC6ALDH1A1
SCHEMBL5455147 0.75 GSK3A (0.74) GSK3AGSK3BHDAC1HDAC6ALDH1A1
SCHEMBL392625 0.75 ALDH1A1 (0.82) HDAC1HDAC6ALDH1A1LMNARAB9A
SCHEMBL1199839 0.74 ALDH1A1 (0.74) GSK3AGSK3BHDAC1HDAC6ALDH1A1
SCHEMBL5457280 0.74 GSK3A (0.53) GSK3AGSK3BHDAC1HDAC6ALDH1A1

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 2838/4885HDAC1 83/4885

“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.