SCHEMBL21490165

SCHEMBL21490165

NC1CCC(NC(=O)c2ccc3cc[nH]c3c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 17/20 0.72
MAPK11 Q15759 1/20 0.67
MAPK14 Q16539 1/20 0.67
CHRNA7 P36544 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
ENPP2 Q13822 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL19710134 1.00 SMYD3 (0.72) SMYD3MAPK11MAPK14CHRNA7KDM4E
SCHEMBL21489951 0.91 SMYD3 (0.72) SMYD3MAPK11MAPK14CHRNA7
SCHEMBL19710019 0.91 SMYD3 (0.72) SMYD3MAPK11MAPK14CHRNA7
SCHEMBL6204351 0.86 MAPK14 (0.70) SMYD3MAPK11MAPK14CHRNA7KDM4E
SCHEMBL6204355 0.86 MAPK14 (0.70) SMYD3MAPK11MAPK14CHRNA7KDM4E
SCHEMBL24950457 0.86 SMYD3 (0.67) SMYD3MAPK11MAPK14CHRNA7KDM4E
SCHEMBL17443589 0.84 SMYD3 (0.65) SMYD3MAPK11MAPK14CHRNA7KDM4E
SCHEMBL21489831 0.84 SMYD3 (1.00) SMYD3MAPK11MAPK14
SCHEMBL19710171 0.84 SMYD3 (1.00) SMYD3MAPK11MAPK14
SCHEMBL4592419 0.83 SMYD3 (0.77) SMYD3MAPK11MAPK14CHRNA7KDM4E

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 1/4885MAPK11 3658/4885MAPK14 3692/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885MAPK11 3459/4885MAPK14 3763/4885

“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.