SCHEMBL21489986

SCHEMBL21489986

CC(=O)Nc1cccc(C(=O)NC2CCC(N)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 9/20 1.00
NPC1 O15118 4/20 0.63
RAB9A P51151 3/20 0.63
KMT2A Q03164 1/20 0.63
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
ADRB2 P07550 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 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
SCHEMBL19710434 1.00 SMYD3 (1.00) SMYD3NPC1RAB9AKMT2APKM
SCHEMBL21489853 0.86 SMYD3 (1.00) SMYD3NPC1RAB9A
SCHEMBL19701231 0.86 SMYD3 (1.00) SMYD3NPC1RAB9A
SCHEMBL19709999 0.86 SMYD3 (1.00) SMYD3NPC1RAB9AKMT2AADRB2
SCHEMBL21490104 0.86 SMYD3 (1.00) SMYD3NPC1RAB9AKMT2AADRB2
SCHEMBL14198233 0.81 SMYD3 (0.74) SMYD3NPC1RAB9AKMT2AALDH1A1
SCHEMBL12852600 0.79 SMYD3 (0.64) SMYD3NPC1RAB9AKMT2APKM
SCHEMBL23951315 0.78 SMYD3 (0.85) SMYD3NPC1RAB9AKMT2APKM
SCHEMBL21489836 0.77 SMYD3 (1.00) SMYD3NPC1RAB9A
SCHEMBL6455623 0.77 SMYD3 (0.69) SMYD3NPC1RAB9APKMALDH1A1

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 2 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

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

For each of this compound's patents that has machine-readable text (2 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-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885NPC1 3734/4885RAB9A 890/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885NPC1 3830/4885RAB9A 736/4885

“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.