SCHEMBL21489923

SCHEMBL21489923

NC1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 1.00
MLLT1 Q03111 1/20 0.57
PYGL P06737 9/20 0.53
PYGM P11217 6/20 0.53
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
HRH4 Q9H3N8 2/20 0.52
HRH3 Q9Y5N1 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL19710296 1.00 SMYD3 (1.00) SMYD3MLLT1PYGLPYGMF7
SCHEMBL11888212 0.88 SMYD3 (0.79) SMYD3MLLT1PYGLPYGMF7
SCHEMBL763943 0.87 SMYD3 (0.77) SMYD3MLLT1PYGLF7F3
SCHEMBL12101155 0.86 SMYD3 (0.76) SMYD3MLLT1PYGLPYGMF7
SCHEMBL30578672 0.86 SMYD3 (0.76) SMYD3MLLT1PYGLPYGMF7
SCHEMBL11960283 0.85 SMYD3 (0.74) SMYD3MLLT1PYGLPYGMHRH4
SCHEMBL12670484 0.85 SMYD3 (0.74) SMYD3MLLT1PYGLPYGMHRH4
SCHEMBL21490044 0.85 MLLT1 (0.79) SMYD3MLLT1PYGLPYGMMEN1
SCHEMBL19710025 0.85 MLLT1 (0.79) SMYD3MLLT1PYGLPYGMMEN1
SCHEMBL21490005 0.85 SMYD3 (1.00) SMYD3MLLT1PYGLPYGM

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 1/4885MLLT1 888/4885PYGL 2466/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885MLLT1 1192/4885PYGL 2678/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885MLLT1 895/4885PYGL 2470/4885

“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.