SCHEMBL21489778

SCHEMBL21489778

Cc1ccncc1C(=O)NC1CCC(NC(=O)CCN)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 20/20 0.61
▸ NSD2 O96028 1/20 0.51
▸ SETD2 Q9BYW2 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
SCHEMBL19710392 1.00 SMYD3 (0.61) SMYD3NSD2SETD2
SCHEMBL21489774 0.90 SMYD3 (0.61) SMYD3NSD2SETD2
SCHEMBL19710338 0.90 SMYD3 (0.61) SMYD3NSD2SETD2
SCHEMBL13162007 0.87 SIRT3 (0.53) SMYD3
SCHEMBL21489766 0.86 SMYD3 (0.62) SMYD3
SCHEMBL19710311 0.86 SMYD3 (0.62) SMYD3
SCHEMBL21490017 0.84 SMYD3 (0.62) SMYD3
SCHEMBL19710343 0.84 SMYD3 (0.62) SMYD3
SCHEMBL19701355 0.83 SMYD3 (0.56) SMYD3
SCHEMBL21489690 0.83 SMYD3 (0.56) SMYD3

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 1/4885NSD2 46/4885SETD2 102/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885NSD2 79/4885SETD2 147/4885

“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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