SCHEMBL19701418

SCHEMBL19701418

N[C@H]1CC[C@H](NC(=O)c2nc(I)n[nH]2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 19/20 0.56
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL23575935 1.00 SMYD3 (0.56) SMYD3CDK1CCNB1CCNA2CDK2
SCHEMBL19701409 0.84 SMYD3 (0.57) SMYD3
SCHEMBL21490215 0.84 SMYD3 (0.57) SMYD3
SCHEMBL21489975 0.76 SMYD3 (0.58) SMYD3
SCHEMBL19710734 0.76 SMYD3 (0.58) SMYD3
SCHEMBL21490139 0.71 SMYD3 (1.00) SMYD3
SCHEMBL19710094 0.71 SMYD3 (1.00) SMYD3
SCHEMBL19701416 0.71 SMYD3 (0.70) SMYD3
SCHEMBL23575904 0.71 SMYD3 (0.70) SMYD3
SCHEMBL21489784 0.70 SMYD3 (0.55) 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 7 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
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 SMYD3 1/4885CDK1 3391/4885CCNB1 3017/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885CDK1 4155/4885CCNB1 2457/4885
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.