SCHEMBL19710587

SCHEMBL19710587

CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cn(C)cn3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 1.00
L3MBTL1 Q9Y468 2/20 0.65
POLB P06746 1/20 0.58
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ATM Q13315 1/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
MAPK10 P53779 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL19710586 0.82 SMYD3 (0.69) SMYD3L3MBTL1POLBNPC1ALDH1A1
SCHEMBL19710245 0.81 SMYD3 (0.68) SMYD3L3MBTL1POLBNPC1ALDH1A1
SCHEMBL19710430 0.81 L3MBTL1 (0.72) SMYD3L3MBTL1POLBNPC1ALDH1A1
SCHEMBL19710244 0.80 SMYD3 (1.00) SMYD3L3MBTL1POLBNPC1ALDH1A1
SCHEMBL19710243 0.79 L3MBTL1 (0.80) SMYD3L3MBTL1POLBNPC1ALDH1A1
SCHEMBL17591888 0.79 L3MBTL1 (1.00) SMYD3L3MBTL1POLBALDH1A1KMT2A
SCHEMBL19710242 0.79 L3MBTL1 (0.66) SMYD3L3MBTL1POLBNPC1ALDH1A1
SCHEMBL17592978 0.78 SMYD3 (0.76) SMYD3L3MBTL1
SCHEMBL19079153 0.77 SMYD3 (0.71) SMYD3L3MBTL1POLB
SCHEMBL19710110 0.76 L3MBTL1 (0.77) SMYD3L3MBTL1POLBALDH1A1KMT2A

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 1/4885L3MBTL1 632/4885POLB 4315/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885L3MBTL1 660/4885POLB 4153/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885L3MBTL1 659/4885POLB 4132/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885L3MBTL1 443/4885POLB 4325/4885

“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.