SCHEMBL21489946

SCHEMBL21489946

NC1CCC(NC(=O)c2cccc(F)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 15/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
PRKAA2 P54646 1/20 0.49
HSD11B1 P28845 2/20 0.47

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
SCHEMBL19701368 1.00 SMYD3 (0.50) SMYD3CDK1CCNB1CCNA2CDK2
SCHEMBL26412830 0.85 HSD11B1 (0.63) PRKAA2HSD11B1
SCHEMBL19701366 0.84 SMYD3 (0.51) SMYD3HSD11B1
SCHEMBL21490144 0.84 SMYD3 (0.51) SMYD3HSD11B1
SCHEMBL23575973 0.84 SMYD3 (0.65) SMYD3
SCHEMBL19710214 0.84 SMYD3 (0.65) SMYD3
SCHEMBL12513462 0.83 PRKAA2 (0.47) SMYD3PRKAA2HSD11B1
SCHEMBL12437375 0.83 PRKAA2 (0.47) SMYD3PRKAA2HSD11B1
SCHEMBL31514789 0.83 CNR2 (0.59) PRKAA2HSD11B1
SCHEMBL21490050 0.80 SMYD3 (0.50) SMYD3HSD11B1

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 1/4885CDK1 4152/4885CCNB1 2497/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885CDK1 4033/4885CCNB1 2580/4885

“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.