SCHEMBL21490192

SCHEMBL21490192

Nc1ccnc2ccc(C(=O)NC3CCC(N)CC3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 19/20 1.00
AR P10275 1/20 0.47

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
SCHEMBL19701311 1.00 SMYD3 (1.00) SMYD3AR
SCHEMBL3243486 0.81 SMYD3 (0.68) SMYD3
SCHEMBL19701350 0.79 SMYD3 (0.70) SMYD3
SCHEMBL21489914 0.79 SMYD3 (0.70) SMYD3
SCHEMBL6204491 0.77 SMYD3 (0.60) SMYD3
SCHEMBL21489738 0.77 SMYD3 (0.62) SMYD3
SCHEMBL19701338 0.77 SMYD3 (0.62) SMYD3
SCHEMBL17031721 0.76 SMYD3 (0.60) SMYD3
SCHEMBL21489927 0.76 SMYD3 (0.60) SMYD3
SCHEMBL19701373 0.76 SMYD3 (0.60) SMYD3

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 1/4885AR 2790/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885AR 3124/4885

“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.