SCHEMBL19701355

SCHEMBL19701355

Cc1ccncc1C(=O)N[C@H]1CC[C@H](N)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 15/20 0.56
▸ SIRT3 Q9NTG7 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PBK Q96KB5 1/20 0.46
▸ CYP46A1 Q9Y6A2 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ MAPK14 Q16539 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
SCHEMBL21489690 1.00 SMYD3 (0.56) SMYD3SIRT3TDP1NPC1RAB9A
SCHEMBL13162007 0.93 SIRT3 (0.53) SMYD3SIRT3TDP1NPC1RAB9A
SCHEMBL23575885 0.89 SMYD3 (0.56) SMYD3NPC1RAB9APBKLCK
SCHEMBL19701369 0.89 SMYD3 (0.56) SMYD3NPC1RAB9APBKLCK
SCHEMBL13162024 0.87 RAB9A (0.57) SMYD3SIRT3TDP1NPC1RAB9A
SCHEMBL21489703 0.84 SMYD3 (0.57) SMYD3PBKCYP46A1
SCHEMBL19701337 0.84 SMYD3 (0.57) SMYD3PBKCYP46A1
SCHEMBL13161975 0.83 SMN1; SMN2 (0.49) SMYD3SIRT3TDP1NPC1RAB9A
SCHEMBL21489778 0.83 SMYD3 (0.61) SMYD3
SCHEMBL19710392 0.83 SMYD3 (0.61) 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 7 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
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 — — US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 — — US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 — — US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 — — US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 SMYD3 1/4885SIRT3 1871/4885TDP1 1130/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885SIRT3 3117/4885TDP1 1720/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885SIRT3 3184/4885TDP1 1714/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885SIRT3 3463/4885TDP1 2058/4885

“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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