SCHEMBL21732377

SCHEMBL21732377

CC(C)(C)OC(=O)NCc1cc(C(=O)O)cc(-c2cccnc2C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 13/20 0.43
DHODH Q02127 1/20 0.42
NAMPT P43490 1/20 0.42
AKT1 P31749 1/20 0.42
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RY14 Q15391 1/20 0.39

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
SCHEMBL21711976 0.91 WDR5 (0.42) WDR5NAMPTAKT1HDAC6L3MBTL1
SCHEMBL21732376 0.84 WDR5 (0.49) WDR5
SCHEMBL21817493 0.80 DHODH (0.50) WDR5DHODH
SCHEMBL21711775 0.77 WDR5 (0.48) WDR5NAMPTHDAC1L3MBTL1
SCHEMBL21711940 0.76 WDR5 (0.49) WDR5
SCHEMBL21711962 0.76 WDR5 (0.49) WDR5
SCHEMBL16147999 0.75 HDAC1 (0.46) NAMPTHDAC1L3MBTL1
SCHEMBL15861836 0.75 HDAC1 (0.46) NAMPTHDAC1L3MBTL1
SCHEMBL545480 0.75 CACNA1H (0.48) NAMPTHDAC1P2RY14
SCHEMBL21711946 0.74 KCNH2 (0.52) WDR5

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-10807959-B2 WDR5-MLL1 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-10-20 US disclosed
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-02-20 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 (2 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-10807959-B2 WDR5-MLL1 inhibitors and modulators WDR5, WDR1, WDR3 WDR5 1/4885DHODH 2433/4885NAMPT 2345/4885
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 WDR5 1/4885DHODH 2433/4885NAMPT 2345/4885

“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.