SCHEMBL23575877

SCHEMBL23575877

CCc1ccnc(C(=O)NC2CCC(N)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 18/20 1.00
PARP1 P09874 1/20 0.45
ADORA1 P30542 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
SCHEMBL19701240 1.00 SMYD3 (1.00) SMYD3PARP1ADORA1
SCHEMBL244445 0.81 SMYD3 (0.67) SMYD3PARP1ADORA1
SCHEMBL25692414 0.81 SMYD3 (0.67) SMYD3PARP1
SCHEMBL244667 0.80 SMYD3 (0.66) SMYD3PARP1ADORA1
SCHEMBL12257089 0.80 SMYD3 (0.66) SMYD3PARP1ADORA1
SCHEMBL21489836 0.76 SMYD3 (1.00) SMYD3
SCHEMBL19701229 0.76 SMYD3 (1.00) SMYD3
SCHEMBL12233638 0.76 SMYD3 (0.61) SMYD3PARP1ADORA1
SCHEMBL21489911 0.75 SMYD3 (0.71) SMYD3
SCHEMBL19701228 0.75 SMYD3 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 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 (1 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 1/4885PARP1 4583/4885ADORA1 4735/4885

“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.