SCHEMBL19701263

SCHEMBL19701263

NCCCCNC(=O)c1ccc2c(c1)CC(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 17/20 1.00
HDAC3 O15379 3/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC4 P56524 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60

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
SCHEMBL4935353 0.85 SMYD3 (0.74) SMYD3HDAC3HDAC1HDAC4HDAC2
SCHEMBL21489758 0.85 SMYD3 (1.00) SMYD3HDAC3HDAC1HDAC4HDAC2
SCHEMBL19710125 0.85 SMYD3 (1.00) SMYD3HDAC3HDAC1HDAC4HDAC2
SCHEMBL19710291 0.85 SMYD3 (1.00) SMYD3HDAC3HDAC1HDAC4HDAC2
SCHEMBL3207365 0.84 SMYD3 (0.72) SMYD3HDAC3HDAC1HDAC4HDAC2
SCHEMBL3193145 0.83 SMYD3 (0.71) SMYD3HDAC3HDAC1HDAC4HDAC2
SCHEMBL3182105 0.83 SMYD3 (0.71) SMYD3HDAC3HDAC1HDAC4HDAC2
SCHEMBL26301 0.83 SMYD3 (0.71) SMYD3HDAC3HDAC1HDAC4HDAC2
SCHEMBL3182622 0.82 SMYD3 (0.70) SMYD3HDAC3HDAC1HDAC4HDAC2
SCHEMBL16048824 0.81 SMYD3 (0.67) SMYD3HDAC3

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 1/4885HDAC3 575/4885HDAC1 556/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885HDAC3 1788/4885HDAC1 1384/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885HDAC3 1844/4885HDAC1 1417/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885HDAC3 2147/4885HDAC1 1748/4885

“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.