SCHEMBL21489845

SCHEMBL21489845

NC1CCC(NC(=O)c2ccc3nc(O)ccc3c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 18/20 0.64
NPC1 O15118 1/20 0.49
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48

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
SCHEMBL19710615 1.00 SMYD3 (0.64) SMYD3NPC1F2F10PRSS1
SCHEMBL23576009 0.91 SMYD3 (0.62) SMYD3NPC1F2F10PRSS1
SCHEMBL19701272 0.91 SMYD3 (0.62) SMYD3NPC1F2F10PRSS1
SCHEMBL19710438 0.82 SMYD3 (0.61) SMYD3NPC1
SCHEMBL21489695 0.82 SMYD3 (0.61) SMYD3NPC1
SCHEMBL29167284 0.81 SMYD3 (0.75) SMYD3F2PRSS1PRSS2PRSS3
SCHEMBL21490004 0.79 SMYD3 (1.00) SMYD3F2PRSS1PRSS2PRSS3
SCHEMBL19710272 0.79 SMYD3 (1.00) SMYD3F2PRSS1PRSS2PRSS3
SCHEMBL25016846 0.77 SMYD3 (0.73) SMYD3F2F10PRSS1PRSS2
SCHEMBL21490065 0.77 SMYD3 (1.00) SMYD3F2F10PRSS1PRSS2

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 1/4885NPC1 3734/4885F2 4791/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885NPC1 3830/4885F2 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.