SCHEMBL21490100

SCHEMBL21490100

NC1CCC(NC(=O)c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 8/20 0.74
▸ TNKS O95271 1/20 0.54
▸ CHRNA7 P36544 1/20 0.54
▸ CNR2 P34972 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ FAAH O00519 2/20 0.51
▸ PARP1 P09874 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CHEK1 O14757 1/20 0.48
▸ NUAK1 O60285 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ BRSK1 Q8TDC3 1/20 0.47
▸ SIK2 Q9H0K1 1/20 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
SCHEMBL19710047 1.00 SMYD3 (0.74) SMYD3TNKSCHRNA7CNR2SMN1; SMN2
SCHEMBL30102646 0.85 SMYD3 (0.68) SMYD3TNKSCHRNA7CNR2SMN1; SMN2
SCHEMBL19710384 0.85 SMYD3 (1.00) SMYD3TNKSCHRNA7POLBAPEX1
SCHEMBL21490183 0.85 SMYD3 (1.00) SMYD3TNKSCHRNA7POLBAPEX1
SCHEMBL1382081 0.79 PARP1 (0.67) SMYD3TNKSCHRNA7CNR2SMN1; SMN2
SCHEMBL602081 0.78 SMYD3 (0.58) SMYD3TNKSCHRNA7CNR2
SCHEMBL24512945 0.77 SMYD3 (0.58) SMYD3TNKSCHRNA7CNR2SMN1; SMN2
SCHEMBL29665814 0.77 SMYD3 (0.58) SMYD3TNKSCHRNA7CNR2SMN1; SMN2
SCHEMBL13490630 0.76 SMYD3 (0.56) SMYD3TNKSCHRNA7CNR2SMN1; SMN2
SCHEMBL7423976 0.75 SMYD3 (0.58) SMYD3CNR2SMN1; SMN2FAAHNPC1

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 1/4885TNKS 3237/4885CHRNA7 4717/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885TNKS 3718/4885CHRNA7 4700/4885

“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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