SCHEMBL15028628

SCHEMBL15028628

C=C(N)NCCC[C@@H]1NC(=O)[C@](C)(NC(=O)C(C)C)CCCCNC(=O)[C@@H](c2ccc(F)cc2)NC(=O)[C@H](CC)NC1=O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.69
KMT2A Q03164 5/20 0.69
RBBP5 Q15291 5/20 0.69
DPY30 Q9C005 5/20 0.69
ASH2L Q9UBL3 5/20 0.69
GRB2 P62993 10/20 0.32
SIRT2 Q8IXJ6 3/20 0.32
SIRT1 Q96EB6 3/20 0.32
SIRT3 Q9NTG7 3/20 0.32
NFE2L2 Q16236 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL16572495 0.94 WDR5 (0.78) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL15005651 0.93 WDR5 (0.69) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL16572502 0.90 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL16572500 0.90 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL16572501 0.90 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL16572498 0.90 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL16572497 0.90 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL16572494 0.90 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL16572496 0.90 WDR5 (0.65) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL20565510 0.88 WDR5 (0.63) WDR5KMT2ARBBP5DPY30ASH2L

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-8980838-B2 Cyclized peptidomimetic small molecule inhibitors of the WDR5 and MLL1 interaction THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-03-17 US disclosed
US-20130150309-A1 CYCLIZED PEPTIDOMIMETIC SMALL MOLECULE INHIBITORS OF THE WDR5 AND MLL1 INTERACTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-06-13 US 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-20130150309-A1 CYCLIZED PEPTIDOMIMETIC SMALL MOLECULE INHIBITORS OF THE WDR5 AND MLL1 INTERACTION WDR5, WDR1, WDR77 WDR5 1/4885KMT2A 37/4885RBBP5 14/4885

“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.