SCHEMBL19701708

SCHEMBL19701708

CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cn(C3CC3)nn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 3/20 0.66
▸ SMYD2 Q9NRG4 2/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ PSMB8 P28062 6/20 0.43
▸ PSMB5 P28074 6/20 0.43
▸ PSMB9 P28065 3/20 0.43
▸ JAK1 P23458 5/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DRD2 P14416 1/20 0.40

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
SCHEMBL30364083 1.00 SMYD3 (0.66) SMYD3SMYD2IRAK4PSMB8PSMB5
SCHEMBL31009899 0.91 SMYD3 (0.53) SMYD3IRAK4PSMB8PSMB5PSMB9
SCHEMBL29341710 0.91 SMYD3 (0.53) SMYD3IRAK4PSMB8PSMB5PSMB9
SCHEMBL3378354 0.89 SMYD3 (0.52) SMYD3IRAK4PSMB8PSMB5PSMB9
SCHEMBL3378349 0.89 SMYD3 (0.52) SMYD3IRAK4PSMB8PSMB5PSMB9
SCHEMBL3378158 0.85 SMYD3 (0.48) SMYD3IRAK4JAK1JAK2TYK2
SCHEMBL3378161 0.85 SMYD3 (0.48) SMYD3IRAK4JAK1JAK2TYK2
SCHEMBL29341711 0.84 SMYD3 (0.45) SMYD3IRAK4JAK1JAK2TYK2
SCHEMBL17591800 0.84 SMYD3 (0.57) SMYD3SMYD2PSMB8PSMB5PSMB9
SCHEMBL28857831 0.80 SMYD3 (0.64) SMYD3SMYD2PSMB8PSMB5PSMB9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 — — US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 — — US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 — — US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 — — US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 — — 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 (4 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-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 SMYD3 1/4885SMYD2 2/4885IRAK4 3693/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885SMYD2 2/4885IRAK4 4203/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885SMYD2 2/4885IRAK4 4188/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885SMYD2 1/4885IRAK4 4594/4885

“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.

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