SCHEMBL21490113

SCHEMBL21490113

NC1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 6/20 0.71
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.58
SCN4A P35499 1/20 0.56
SCN9A Q15858 1/20 0.56
SLC2A1 P11166 1/20 0.54
MLLT1 Q03111 1/20 0.54
FLT3 P36888 1/20 0.54
HSD17B10 Q99714 1/20 0.53
CHRNA7 P36544 1/20 0.53
HTR3A P46098 1/20 0.53
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM1A O60341 1/20 0.52
RCOR1 Q9UKL0 1/20 0.52
PYGL P06737 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
SCHEMBL29908506 1.00 SMYD3 (0.71) SMYD3KDM4EALDH1A1GAAMAPK1
SCHEMBL19710676 1.00 SMYD3 (0.71) SMYD3KDM4EALDH1A1GAAMAPK1
SCHEMBL4018254 0.93 KDM4E (0.62) SMYD3KDM4EALDH1A1GAAMAPK1
SCHEMBL76132 0.87 MLLT1 (0.69) SMYD3KDM4EALDH1A1GAAMAPK1
SCHEMBL75198 0.87 MLLT1 (0.65) SMYD3KDM4EALDH1A1GAAMAPK1
SCHEMBL19837662 0.86 NPC1 (0.56) SMYD3KDM4EALDH1A1GAAMAPK1
SCHEMBL19837642 0.86 NPC1 (0.56) SMYD3KDM4EALDH1A1GAAMAPK1
SCHEMBL19844443 0.86 NPC1 (0.56) SMYD3KDM4EALDH1A1GAAMAPK1
SCHEMBL19850663 0.86 NPC1 (0.56) SMYD3KDM4EALDH1A1GAAMAPK1
SCHEMBL74832 0.86 MLLT1 (0.67) KDM4EALDH1A1GAAMAPK1SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US claimed
CN-115028619-A SMYD inhibitors EPIZYME股份有限公司 2022-09-09 CN claimed
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 (3 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 1/4885KDM4E 139/4885ALDH1A1 1575/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885KDM4E 233/4885ALDH1A1 1125/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885KDM4E 141/4885ALDH1A1 1611/4885

“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.