SCHEMBL5457396

SCHEMBL5457396

CC(=O)N(c1cccc(CN2C(=O)CSC2=O)c1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
GSK3A P49840 2/20 0.51
GSK3B P49841 2/20 0.51
PPARG P37231 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CCR8 P51685 3/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL5457281 0.93 GSK3A (0.50) ALDH1A1GSK3AGSK3BPPARGHDAC1
SCHEMBL5457426 0.84 GSK3A (0.68) ALDH1A1GSK3AGSK3BPPARGKDM4E
SCHEMBL7463278 0.75 GSK3A (0.61) ALDH1A1GSK3AGSK3BPPARGHDAC1
SCHEMBL5457394 0.75 ALDH1A1 (0.53) ALDH1A1GSK3AGSK3BGAASMN1; SMN2
SCHEMBL5462796 0.75 GSK3A (0.74) ALDH1A1GSK3AGSK3BPPARGHDAC1
SCHEMBL27854365 0.75 MEN1 (0.53) ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL5460257 0.74 MEN1 (0.52) PPARGLMNAMAPT
SCHEMBL5457280 0.73 GSK3A (0.53) ALDH1A1GSK3AGSK3BHDAC1HDAC6
SCHEMBL26710431 0.72 GSK3A (0.65) ALDH1A1GSK3AGSK3BPPARGKDM4E
SCHEMBL338442 0.71 GSK3A (1.00) ALDH1A1GSK3AGSK3BPPARGHDAC1

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 ALDH1A1 1861/4885GSK3A 2857/4885GSK3B 2838/4885

“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.