SCHEMBL24915528

SCHEMBL24915528

CCc1cc(C(=O)NC2CCOCC2)c2nccc(C(C)C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.45
SMYD3 Q9H7B4 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.40
PDE4B Q07343 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
BRD4 O60885 2/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
DHODH Q02127 2/20 0.38
P2RX3 P56373 2/20 0.38
EGFR P00533 1/20 0.37
KDM1A O60341 1/20 0.36
IDH1 O75874 1/20 0.36
DGAT2 Q96PD7 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
SCHEMBL24915998 0.93 SMYD3 (0.47) CNR2SMYD3PIK3C3BRD4
SCHEMBL24916002 0.91 SMYD3 (0.43) CNR2SMYD3
SCHEMBL24915943 0.88 CNR2 (0.38) CNR2SMYD3PIK3C3PDE4BP2RX3
SCHEMBL24915530 0.87 HTR7 (0.42) SMYD3DHODH
SCHEMBL24915529 0.83 HTR7 (0.42) SMYD3
SCHEMBL24916371 0.83 MAP4K4 (0.39) SMYD3
SCHEMBL24915849 0.81 PLK1 (0.37) BRD4
SCHEMBL24915525 0.80 CNR2 (0.46) CNR2
SCHEMBL29924056 0.79 CNR1 (0.46) CNR2SMYD3PDE4BBRD4DGAT2
SCHEMBL24915997 0.79 GPR52 (0.39) BRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 CNR2 3646/4885SMYD3 1565/4885PIK3C3 3877/4885

“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.