SCHEMBL21489846

SCHEMBL21489846

NC1CCC(NC(=O)c2ccc3c(c2)OC(F)(F)O3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 19/20 1.00
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL19710494 1.00 SMYD3 (1.00) SMYD3NPC1RAB9AKMT2A
SCHEMBL21490173 0.84 SMYD3 (1.00) SMYD3
SCHEMBL19710698 0.84 SMYD3 (1.00) SMYD3
SCHEMBL19701459 0.82 SMYD3 (1.00) SMYD3
SCHEMBL17591797 0.82 SMYD3 (1.00) SMYD3
SCHEMBL17591798 0.82 SMYD3 (1.00) SMYD3
SCHEMBL21489972 0.82 SMYD3 (1.00) SMYD3
SCHEMBL19710394 0.82 SMYD3 (0.70) SMYD3KMT2A
SCHEMBL21489895 0.80 NPC1 (0.76) SMYD3NPC1RAB9AKMT2A
SCHEMBL19710461 0.80 NPC1 (0.76) SMYD3NPC1RAB9AKMT2A

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 3734/4885RAB9A 890/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885NPC1 3830/4885RAB9A 736/4885

“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.