SCHEMBL5459720

SCHEMBL5459720

O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1Cc1ccc(/C=C/c2ccccc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 11/20 0.87
▸ KMT2A Q03164 11/20 0.87
▸ POLB P06746 7/20 0.87
▸ GAA P10253 3/20 0.87
▸ CASP3 P42574 2/20 0.87
▸ SENP8 Q96LD8 2/20 0.87
▸ SENP7 Q9BQF6 2/20 0.87
▸ SENP6 Q9GZR1 2/20 0.87
▸ HSP90AA1 P07900 1/20 0.87
▸ ATM Q13315 2/20 0.69
▸ MAPK1 P28482 4/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ ALDH1A1 P00352 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ HTT P42858 2/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ DUSP22 Q9NRW4 1/20 0.64
▸ BLM P54132 2/20 0.63
▸ USP2 O75604 1/20 0.63
▸ GALK1 P51570 1/20 0.63

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
SCHEMBL5459723 1.00 MEN1 (0.87) MEN1KMT2APOLBGAACASP3
SCHEMBL5457193 0.85 MEN1 (0.76) MEN1KMT2APOLBGAACASP3
SCHEMBL5457187 0.85 MEN1 (0.76) MEN1KMT2APOLBGAACASP3
SCHEMBL5465601 0.84 MEN1 (0.74) MEN1KMT2APOLBGAACASP3
SCHEMBL5465596 0.84 MEN1 (0.74) MEN1KMT2APOLBGAACASP3
SCHEMBL15682752 0.82 MEN1 (0.78) MEN1KMT2APOLBGAACASP3
SCHEMBL2080496 0.81 MEN1 (0.82) MEN1KMT2APOLBGAACASP3
SCHEMBL2080494 0.81 MEN1 (0.82) MEN1KMT2APOLBGAACASP3
SCHEMBL14220547 0.80 PTPN1 (0.74) MEN1KMT2APOLBGAACASP3
SCHEMBL12010971 0.80 MEN1 (1.00) MEN1KMT2APOLBGAACASP3

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 MEN1 2892/4885KMT2A 2948/4885POLB 3236/4885

“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.

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