SCHEMBL5468445

SCHEMBL5468445

COc1ccc(NC(=O)c2cc(/C=C3/SC(=O)N(Cc4cccc(Oc5ccccc5)c4)C3=O)ccc2O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ NPSR1 Q6W5P4 3/20 0.55
▸ ENPP2 Q13822 4/20 0.53
▸ PTPN1 P18031 6/20 0.52
▸ ACP1 P24666 5/20 0.52
▸ PPARG P37231 2/20 0.52
▸ AKR1B1 P15121 1/20 0.51
▸ PTPN2 P17706 4/20 0.51
▸ USP2 O75604 1/20 0.49
▸ L3MBTL1 Q9Y468 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
SCHEMBL5468449 1.00 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5459326 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5459328 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5465772 0.85 NPSR1 (0.59) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5465776 0.85 NPSR1 (0.59) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5454705 0.85 PTPN1 (0.61) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL5454709 0.85 PTPN1 (0.61) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL5459300 0.85 PTPN1 (0.56) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5459305 0.85 PTPN1 (0.56) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5457142 0.85 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTKDM4E

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 2948/4885ALDH1A1 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.

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