SCHEMBL19701397

SCHEMBL19701397

N[C@H]1CC[C@H](NC(=O)c2ncccc2O)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 11/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
EGLN2 Q96KS0 1/20 0.48
FTO Q9C0B1 1/20 0.48
WNT1 P04628 1/20 0.47
DYRK1A Q13627 1/20 0.47
ELANE P08246 1/20 0.46
TLR7 Q9NYK1 2/20 0.46
PBK Q96KB5 1/20 0.44
RIPK1 Q13546 1/20 0.43

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
SCHEMBL21490080 1.00 SMYD3 (0.51) SMYD3KDM4EALDH1A1GAAEGLN2
SCHEMBL14159861 0.87 KDM4E (0.50) SMYD3KDM4EALDH1A1GAAEGLN2
SCHEMBL14284346 0.85 ALDH1A1 (0.66) KDM4EALDH1A1GAAEGLN2FTO
SCHEMBL5583848 0.85 ALDH1A1 (0.66) KDM4EALDH1A1GAAEGLN2FTO
SCHEMBL23575882 0.84 SMYD3 (0.65) SMYD3
SCHEMBL19710533 0.84 SMYD3 (0.65) SMYD3
SCHEMBL14284350 0.80 ALDH1A1 (0.44) KDM4EALDH1A1GAAEGLN2FTO
SCHEMBL21489794 0.80 ALDH1A1 (0.52) SMYD3KDM4EALDH1A1GAAPBK
SCHEMBL19701374 0.80 ALDH1A1 (0.52) SMYD3KDM4EALDH1A1GAAPBK
SCHEMBL3720002 0.79 EGLN2 (0.50) KDM4EALDH1A1GAAEGLN2FTO

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 1/4885KDM4E 141/4885ALDH1A1 1204/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885KDM4E 137/4885ALDH1A1 1533/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885KDM4E 139/4885ALDH1A1 1575/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885KDM4E 233/4885ALDH1A1 1125/4885

“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.