Sugi Predict

Sugi Predict / Compounds / SCHEMBL17592010

SCHEMBL17592010

SCHEMBL17592010

O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)N2)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 7/20 0.67
▸ DHODH Q02127 1/20 0.46
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CFTR P13569 4/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CTNNB1 P35222 1/20 0.42
▸ WNT3A P56704 1/20 0.42

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
SCHEMBL17592011 1.00 SMYD3 (0.67) SMYD3DHODHNPC1RAB9ATP53
SCHEMBL29779541 1.00 SMYD3 (0.67) SMYD3DHODHNPC1RAB9ATP53
SCHEMBL22146341 0.81 NPC1 (0.67) SMYD3NPC1RAB9ATP53HPGD
SCHEMBL17591850 0.80 SMYD3 (0.66) SMYD3DHODHNPC1RAB9ATP53
SCHEMBL17591913 0.80 SMYD3 (0.66) SMYD3DHODHNPC1RAB9ATP53
SCHEMBL21489846 0.80 SMYD3 (1.00) SMYD3NPC1RAB9AKMT2A
SCHEMBL19710494 0.80 SMYD3 (1.00) SMYD3NPC1RAB9AKMT2A
SCHEMBL611278 0.78 SMYD3 (0.66) SMYD3DHODHNPC1RAB9ATP53
SCHEMBL29778240 0.78 SMYD3 (0.66) SMYD3DHODHNPC1RAB9ATP53
SCHEMBL19710264 0.77 SMYD3 (0.58) SMYD3DHODHNPC1RAB9ATP53

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-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 — — US disclosed
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
EP-3193600-A1 SMYD INHIBITORS Epizyme, Inc. (US) 2017-07-26 — — EP disclosed
WO-2016040505-A1 SMYD INHIBITORS Epizyme, Inc. (US) 2016-03-17 — — WO 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 (5 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 1/4885DHODH 258/4885NPC1 3576/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885DHODH 214/4885NPC1 3715/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885DHODH 211/4885NPC1 3734/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885DHODH 128/4885NPC1 3830/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885DHODH 220/4885NPC1 3716/4885

“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.