SCHEMBL19710110

SCHEMBL19710110

CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.77
RAB9A P51151 1/20 0.74
CYP3A4 P08684 1/20 0.68
GAA P10253 1/20 0.62
SMYD3 Q9H7B4 4/20 0.61
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
ALDH1A1 P00352 3/20 0.58
POLB P06746 3/20 0.58
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.55
ADRB2 P07550 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL19710243 0.88 L3MBTL1 (0.80) L3MBTL1RAB9ASMYD3KMT2AMEN1
SCHEMBL17591888 0.87 L3MBTL1 (1.00) L3MBTL1SMYD3KMT2AMEN1ALDH1A1
SCHEMBL19710586 0.84 SMYD3 (0.69) L3MBTL1RAB9ACYP3A4GAASMYD3
SCHEMBL19710430 0.83 L3MBTL1 (0.72) L3MBTL1GAASMYD3KMT2AMEN1
SCHEMBL19710242 0.79 L3MBTL1 (0.66) L3MBTL1GAASMYD3KMT2AMEN1
SCHEMBL164793 0.78 NAMPT (0.80)
SCHEMBL19710245 0.77 SMYD3 (0.68) L3MBTL1CYP3A4GAASMYD3KMT2A
SCHEMBL28683089 0.77 SMN1; SMN2 (0.59) L3MBTL1RAB9AGAAKMT2AMEN1
SCHEMBL19710587 0.76 SMYD3 (1.00) L3MBTL1GAASMYD3KMT2AMEN1
SCHEMBL3955552 0.75 ALDH1A1 (0.62) L3MBTL1RAB9AKMT2AALDH1A1POLB

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 L3MBTL1 632/4885RAB9A 1388/4885CYP3A4 3384/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 L3MBTL1 660/4885RAB9A 893/4885CYP3A4 4188/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 L3MBTL1 659/4885RAB9A 890/4885CYP3A4 4238/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 L3MBTL1 443/4885RAB9A 736/4885CYP3A4 3863/4885

“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.