SCHEMBL21490215

SCHEMBL21490215

Nc1n[nH]c(C(=O)NC2CCC(N)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 19/20 0.57
WNT1 P04628 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL19701409 1.00 SMYD3 (0.57) SMYD3WNT1DYRK1A
SCHEMBL23575935 0.84 SMYD3 (0.56) SMYD3
SCHEMBL19701418 0.84 SMYD3 (0.56) SMYD3
SCHEMBL21489975 0.77 SMYD3 (0.58) SMYD3
SCHEMBL19710734 0.77 SMYD3 (0.58) SMYD3
SCHEMBL21490139 0.72 SMYD3 (1.00) SMYD3
SCHEMBL19710094 0.72 SMYD3 (1.00) SMYD3
SCHEMBL19701416 0.72 SMYD3 (0.70) SMYD3
SCHEMBL23575904 0.72 SMYD3 (0.70) SMYD3
SCHEMBL28268855 0.71 ALDH1A1 (0.37)

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-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US claimed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US claimed

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-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885WNT1 3831/4885DYRK1A 2341/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885WNT1 3747/4885DYRK1A 1947/4885

“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.