SCHEMBL21489990

SCHEMBL21489990

NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(NC(=O)c2ccc3c(c2)CC(=O)N3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 19/20 1.00
▸ KRAS P01116 1/20 0.51
▸ SOS1 Q07889 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
SCHEMBL19710607 1.00 SMYD3 (1.00) SMYD3KRASSOS1
SCHEMBL23575879 0.89 SMYD3 (1.00) SMYD3SOS1
SCHEMBL19710453 0.89 SMYD3 (1.00) SMYD3SOS1
SCHEMBL19710121 0.85 SMYD3 (1.00) SMYD3KRASSOS1
SCHEMBL21489728 0.85 SMYD3 (1.00) SMYD3KRASSOS1
SCHEMBL21490200 0.81 SMYD3 (1.00) SMYD3
SCHEMBL19710004 0.81 SMYD3 (1.00) SMYD3
SCHEMBL19734019 0.75 SMYD3 (1.00) SMYD3KRASSOS1
SCHEMBL23575931 0.74 SMYD3 (1.00) SMYD3
SCHEMBL19710443 0.74 SMYD3 (1.00) 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 1/4885KRAS 474/4885SOS1 740/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885KRAS 548/4885SOS1 504/4885

“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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