SCHEMBL20564271

SCHEMBL20564271

C=CCCCNC(=O)[C@H](NC(=O)C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
CASP3 P42574 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BACE1 P56817 1/20 0.37
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL20564268 1.00 KMT2A (0.45) KMT2ACASP3KDM4EALDH1A1BACE1
SCHEMBL20564085 0.96 KMT2A (0.48) KMT2ACASP3KDM4EALDH1A1BACE1
SCHEMBL20564084 0.96 KMT2A (0.48) KMT2ACASP3KDM4EALDH1A1BACE1
SCHEMBL20564114 0.95 KMT2A (0.43) KMT2ACASP3KDM4EALDH1A1BACE1
SCHEMBL20564113 0.95 KMT2A (0.43) KMT2ACASP3KDM4EALDH1A1BACE1
SCHEMBL7402885 0.79 KMT2A (0.66) KMT2ACASP3FABP7FABP5
SCHEMBL15005855 0.79 CASP3 (0.48) KMT2ACASP3BACE1
SCHEMBL7403546 0.75 KMT2A (0.68) KMT2ACASP3FABP7FABP5
SCHEMBL10149864 0.75 KMT2A (0.48) KMT2ACASP3FABP7FABP5
SCHEMBL6285024 0.74 KMT2A (0.70) KMT2ACASP3FABP7FABP5

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-20210130401-A1 PEPTIDOMIMETIC INHIBITORS OF THE WDR5-MLL INTERACTION UNIV MICHIGAN REGENTS (US) 2021-05-06 US disclosed
WO-2018213228-A1 PEPTIDOMIMETIC INHIBITORS OF THE WDR5-MLL INTERACTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-11-22 WO 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-20210130401-A1 PEPTIDOMIMETIC INHIBITORS OF THE WDR5-MLL INTERACTION WDR5, MLLT1, WDR1 KMT2A 22/4885CASP3 3562/4885KDM4E 95/4885

“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.