SCHEMBL19710315

SCHEMBL19710315

N[C@H]1CC[C@H](NC(=O)c2cc(O)c3ccccc3n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 9/20 0.52
▸ RAB9A P51151 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MLLT3 P42568 1/20 0.44
▸ MLLT1 Q03111 1/20 0.44
▸ EPHX1 P07099 1/20 0.44

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
SCHEMBL21489685 1.00 SMYD3 (0.52) SMYD3RAB9ALMNAMAPK1GAA
SCHEMBL2546886 0.94 RAB9A (0.52) RAB9ALMNAMAPK1GAAKMT2A
SCHEMBL7971605 0.88 RAB9A (0.56) RAB9ALMNAGAAKMT2AKDM4E
SCHEMBL19710202 0.86 SMYD3 (0.61) SMYD3
SCHEMBL23575941 0.86 SMYD3 (0.61) SMYD3
SCHEMBL21489903 0.81 SMYD3 (0.48) SMYD3RAB9ALMNAMAPK1GAA
SCHEMBL19701306 0.80 RAB9A (0.62) SMYD3RAB9ALMNAGAAKMT2A
SCHEMBL23575895 0.80 RAB9A (0.62) SMYD3RAB9ALMNAGAAKMT2A
SCHEMBL21489934 0.79 ALDH1A1 (0.57) SMYD3RAB9AGAAKMT2A
SCHEMBL19701288 0.79 ALDH1A1 (0.57) SMYD3RAB9AGAAKMT2A

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 6 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

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 1/4885RAB9A 1388/4885LMNA 4648/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885RAB9A 893/4885LMNA 4437/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885RAB9A 890/4885LMNA 4418/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885RAB9A 736/4885LMNA 4699/4885

“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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