SCHEMBL21489786

SCHEMBL21489786

COc1ccc2cc(C(=O)NC3CCC(N)CC3)ccc2c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 6/20 0.72
HPGDS O60760 8/20 0.72
F2 P00734 2/20 0.55
PRSS1 P07477 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
ST14 Q9Y5Y6 2/20 0.55
F10 P00742 1/20 0.55
DRD4 P21917 1/20 0.55
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL19701334 1.00 SMYD3 (0.72) SMYD3HPGDSF2PRSS1PRSS2
SCHEMBL21561324 0.88 SMYD3 (0.63) SMYD3HPGDSDRD4KDM4E
SCHEMBL24360439 0.88 SMYD3 (0.62) SMYD3HPGDSF2PRSS1PRSS2
SCHEMBL24360441 0.88 SMYD3 (0.62) SMYD3HPGDSF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL27207691 0.86 SMYD3 (0.61) SMYD3HPGDSF2PRSS1PRSS2
SCHEMBL6455626 0.85 SMYD3 (0.69) SMYD3PRSS1PRSS2PRSS3ST14
SCHEMBL6455623 0.85 SMYD3 (0.69) SMYD3PRSS1PRSS2PRSS3ST14
SCHEMBL21489994 0.84 SMYD3 (1.00) SMYD3HPGDSDRD4
SCHEMBL19710314 0.84 SMYD3 (1.00) SMYD3HPGDSDRD4
SCHEMBL21490004 0.82 SMYD3 (1.00) SMYD3F2PRSS1PRSS2PRSS3

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 1/4885HPGDS 2697/4885F2 4791/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885HPGDS 1827/4885F2 4840/4885

“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.