SCHEMBL19710071

SCHEMBL19710071

NCCC(=O)N[C@H]1CC[C@H](NC(=O)c2c[nH]c3ccccc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 12/20 0.70
HPGD P15428 1/20 0.62
HTT P42858 1/20 0.62
RECQL P46063 1/20 0.62
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL21489781 1.00 SMYD3 (0.70) SMYD3HPGDHTTRECQLRAB9A
SCHEMBL19710504 0.85 RAB9A (0.59) SMYD3HPGDHTTRECQLRAB9A
SCHEMBL21489827 0.85 RAB9A (0.59) SMYD3HPGDHTTRECQLRAB9A
SCHEMBL21489985 0.84 SMYD3 (0.69) SMYD3HPGDHTTRECQLL3MBTL1
SCHEMBL19710333 0.84 SMYD3 (0.69) SMYD3HPGDHTTRECQLL3MBTL1
SCHEMBL23575950 0.84 HPGD (0.75) SMYD3HPGDHTTRECQLRAB9A
SCHEMBL19710020 0.84 HPGD (0.75) SMYD3HPGDHTTRECQLRAB9A
SCHEMBL26414747 0.82 RAB9A (0.76) HPGDHTTRAB9ANPC1L3MBTL1
SCHEMBL20590676 0.80 RAB9A (0.59) HPGDHTTRECQLRAB9ANPC1
SCHEMBL21490068 0.79 SMYD3 (0.55) SMYD3RAB9ANPC1HDAC1HDAC3

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 6 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

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 1/4885HPGD 3405/4885HTT 4137/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885HPGD 3789/4885HTT 4069/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885HPGD 3818/4885HTT 4022/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885HPGD 3211/4885HTT 4016/4885

“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.