SCHEMBL21490103

SCHEMBL21490103

NCCC(=O)NC1CCC(NC(=O)c2ccc3cnccc3c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 19/20 1.00
LCK P06239 1/20 0.53
CSF1R P07333 1/20 0.53
KDR P35968 1/20 0.53
MAPK14 Q16539 1/20 0.53

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
SCHEMBL19710464 1.00 SMYD3 (1.00) SMYD3LCKCSF1RKDRMAPK14
SCHEMBL28148124 0.88 SMYD3 (0.87) SMYD3LCKCSF1RKDRMAPK14
SCHEMBL21490065 0.84 SMYD3 (1.00) SMYD3LCKCSF1RKDRMAPK14
SCHEMBL19710016 0.84 SMYD3 (1.00) SMYD3LCKCSF1RKDRMAPK14
SCHEMBL21490116 0.81 SMYD3 (0.70) SMYD3
SCHEMBL19710282 0.81 SMYD3 (0.70) SMYD3
SCHEMBL23575942 0.81 SMYD3 (0.67) SMYD3
SCHEMBL19710283 0.81 SMYD3 (0.67) SMYD3
SCHEMBL21489994 0.81 SMYD3 (1.00) SMYD3
SCHEMBL19710314 0.81 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 1/4885LCK 2091/4885CSF1R 4038/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885LCK 1429/4885CSF1R 3985/4885

“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.