SCHEMBL21489727

SCHEMBL21489727

CCc1ccc(C(=O)NC2CCC(N)CC2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 14/20 1.00
▸ HPGD P15428 4/20 0.75
▸ RAB9A P51151 3/20 0.75
▸ NPC1 O15118 2/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.75
▸ TP53 P04637 1/20 0.75
▸ TSHR P16473 1/20 0.75
▸ ALDH1A1 P00352 2/20 0.47

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
SCHEMBL19710117 1.00 SMYD3 (1.00) SMYD3HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL11919028 0.78 RAB9A (0.67) SMYD3HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL21489959 0.77 SMYD3 (0.62) SMYD3HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL19710005 0.77 SMYD3 (0.62) SMYD3HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL21490199 0.77 SMYD3 (0.73) SMYD3HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL19710739 0.77 SMYD3 (0.73) SMYD3HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL16492018 0.75 SMYD3 (0.59) SMYD3HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL19710432 0.73 SMYD3 (1.00) SMYD3
SCHEMBL21490066 0.73 SMYD3 (1.00) SMYD3
SCHEMBL21489911 0.72 SMYD3 (0.71) 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 1/4885HPGD 3818/4885RAB9A 890/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885HPGD 3211/4885RAB9A 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.

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