SCHEMBL21490004

SCHEMBL21490004

Nc1ccc2cc(C(=O)NC3CCC(N)CC3)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 18/20 1.00
ST14 Q9Y5Y6 2/20 0.57
F2 P00734 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52

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
SCHEMBL19710272 1.00 SMYD3 (1.00) SMYD3ST14F2PRSS1PRSS2
SCHEMBL29167284 0.86 SMYD3 (0.75) SMYD3ST14F2PRSS1PRSS2
SCHEMBL25016846 0.84 SMYD3 (0.73) SMYD3ST14F2PRSS1PRSS2
SCHEMBL21489786 0.82 SMYD3 (0.72) SMYD3ST14F2PRSS1PRSS2
SCHEMBL19701334 0.82 SMYD3 (0.72) SMYD3ST14F2PRSS1PRSS2
SCHEMBL21490065 0.81 SMYD3 (1.00) SMYD3ST14F2PRSS1PRSS2
SCHEMBL19710016 0.81 SMYD3 (1.00) SMYD3ST14F2PRSS1PRSS2
SCHEMBL21489845 0.79 SMYD3 (0.64) SMYD3ST14F2PRSS1PRSS2
SCHEMBL19710615 0.79 SMYD3 (0.64) SMYD3ST14F2PRSS1PRSS2
SCHEMBL28975684 0.79 DRD4 (0.67) 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 1/4885ST14 977/4885F2 4791/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885ST14 1516/4885F2 4840/4885

“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.