SCHEMBL21489762

SCHEMBL21489762

NC1CCC(C(=O)Nc2ccc3c(c2)CC(=O)N3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 10/20 1.00
▸ ULK1 O75385 1/20 0.54
▸ TLK2 Q86UE8 1/20 0.47
▸ EP300 Q09472 1/20 0.46
▸ CREBBP Q92793 1/20 0.46
▸ GRIN1 Q05586 2/20 0.45
▸ GRIN2B Q13224 2/20 0.45
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45

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
SCHEMBL19710217 1.00 SMYD3 (1.00) SMYD3ULK1TLK2EP300CREBBP
SCHEMBL17591718 0.82 SMYD3 (1.00) SMYD3GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL17591717 0.82 SMYD3 (1.00) SMYD3GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL23143564 0.81 SMYD3 (0.68) SMYD3EP300CREBBPGRIN1GRIN2B
SCHEMBL5728126 0.78 SMYD3 (0.64) SMYD3TLK2GRIN1GRIN2BGRIN2D
SCHEMBL6744135 0.78 SMYD3 (0.64) SMYD3
SCHEMBL27608681 0.77 SMYD3 (0.62) SMYD3TLK2GRIN1GRIN2BGRIN2D
SCHEMBL578342 0.77 SMYD3 (0.61) SMYD3TLK2GRIN1GRIN2BGRIN2D
SCHEMBL29642948 0.77 SMYD3 (0.61) SMYD3TLK2GRIN1GRIN2BGRIN2D
SCHEMBL7297231 0.76 SMYD3 (0.61) SMYD3ULK1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1/4885ULK1 3803/4885TLK2 2682/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885ULK1 3670/4885TLK2 2916/4885

“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.

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