SCHEMBL19701331

SCHEMBL19701331

N[C@H]1CC[C@H](NC(=O)c2ncccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 17/20 0.55
P2RX7 Q99572 1/20 0.48
PBK Q96KB5 1/20 0.46
GRM5 P41594 1/20 0.46

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
SCHEMBL21489688 1.00 SMYD3 (0.55) SMYD3P2RX7PBKGRM5
SCHEMBL27854607 0.84 ALDH1A1 (0.58) P2RX7GRM5
SCHEMBL4735860 0.82 ALDH1A1 (0.61) GRM5
SCHEMBL19691131 0.81 SMYD3 (0.71) SMYD3GRM5
SCHEMBL21490099 0.81 SMYD3 (0.71) SMYD3
SCHEMBL19710012 0.81 SMYD3 (0.71) SMYD3
SCHEMBL19691134 0.81 SMYD3 (0.71) SMYD3GRM5
SCHEMBL23107926 0.79 EPHX1 (0.50) SMYD3P2RX7GRM5
SCHEMBL14730825 0.79 SMYD3 (0.57) SMYD3PBK
SCHEMBL21489794 0.79 ALDH1A1 (0.52) SMYD3P2RX7PBK

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 1/4885P2RX7 4557/4885PBK 4507/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885P2RX7 4694/4885PBK 4705/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885P2RX7 4692/4885PBK 4706/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885P2RX7 4627/4885PBK 4541/4885

“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.