SCHEMBL5468845

SCHEMBL5468845

COc1ccc(NC(=O)c2cc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)ccc2O)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ PTPN1 P18031 1/20 0.49
▸ ACP1 P24666 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ENPP2 Q13822 3/20 0.46
▸ PSMD14 O00487 1/20 0.46
▸ PTPN7 P35236 1/20 0.46
▸ PTPN12 Q05209 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.46
▸ PTPN22 Q9Y2R2 1/20 0.46
▸ DVL1 O14640 1/20 0.45

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
SCHEMBL5468850 1.00 KMT2A (0.52) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL5462529 0.88 MEN1 (0.56) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL5462526 0.88 MEN1 (0.56) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL5459300 0.87 PTPN1 (0.56) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL5459305 0.87 PTPN1 (0.56) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL5461568 0.85 NPSR1 (0.57) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL5461565 0.85 NPSR1 (0.57) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL5461849 0.84 PTPN22 (0.51) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL5461851 0.84 PTPN22 (0.51) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL5465772 0.84 NPSR1 (0.59) KMT2AMEN1ALDH1A1NPSR1MAPT

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 KMT2A 2948/4885MEN1 2892/4885ALDH1A1 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.

Send feedback