SCHEMBL21490199

SCHEMBL21490199

CCc1cnc(C(=O)NC2CCC(N)CC2)s1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 19/20 0.73
▸ NPC1 O15118 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL19710739 1.00 SMYD3 (0.73) SMYD3NPC1TP53HPGDTSHR
SCHEMBL21490056 0.85 SMYD3 (1.00) SMYD3
SCHEMBL19710093 0.85 SMYD3 (1.00) SMYD3
SCHEMBL21489818 0.82 SMYD3 (0.70) SMYD3NPC1RAB9A
SCHEMBL19710507 0.82 SMYD3 (0.70) SMYD3NPC1RAB9A
SCHEMBL21489959 0.78 SMYD3 (0.62) SMYD3NPC1TP53HPGDTSHR
SCHEMBL19710005 0.78 SMYD3 (0.62) SMYD3NPC1TP53HPGDTSHR
SCHEMBL21489727 0.77 SMYD3 (1.00) SMYD3NPC1TP53HPGDTSHR
SCHEMBL19710117 0.77 SMYD3 (1.00) SMYD3NPC1TP53HPGDTSHR
SCHEMBL19710432 0.75 SMYD3 (1.00) 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 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 3734/4885TP53 666/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885NPC1 3830/4885TP53 963/4885

“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.

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