SCHEMBL19701280

SCHEMBL19701280

N[C@H]1CC[C@H](NC(=O)c2ccncc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 16/20 0.64
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GFER P55789 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL21490121 1.00 SMYD3 (0.64) SMYD3L3MBTL1GAAALDH1A1GFER
SCHEMBL1544549 0.91 L3MBTL1 (0.61) SMYD3L3MBTL1GAAALDH1A1GFER
SCHEMBL23573442 0.85 CYP46A1 (0.56) SMYD3L3MBTL1GAAALDH1A1GFER
SCHEMBL23573440 0.85 CYP46A1 (0.56) SMYD3L3MBTL1GAAALDH1A1GFER
SCHEMBL12385843 0.83 GAA (0.55) L3MBTL1GAAALDH1A1GFERKDM4E
SCHEMBL17133511 0.83 GAA (0.55) L3MBTL1GAAALDH1A1GFERKDM4E
SCHEMBL24512933 0.83 SMYD3 (0.82) SMYD3
SCHEMBL3812383 0.83 SMYD3 (0.82) SMYD3
SCHEMBL11623816 0.83 L3MBTL1 (0.74) L3MBTL1GAAALDH1A1GFER
SCHEMBL19691213 0.81 ALDH1A1 (0.69) SMYD3L3MBTL1ALDH1A1

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 7 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
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 1/4885L3MBTL1 632/4885GAA 1822/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885L3MBTL1 660/4885GAA 1374/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885L3MBTL1 659/4885GAA 1370/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885L3MBTL1 443/4885GAA 1705/4885

“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.