SCHEMBL19710127

SCHEMBL19710127

CC(CN1CCCC1)C(=O)NC(c1ccccc1)C1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 8/20 1.00
NPC1 O15118 1/20 0.44
CDK2 P24941 1/20 0.43
AKT1 P31749 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
KCNK3 O14649 1/20 0.42
OPRD1 P41143 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
SCHEMBL11034589 0.77 SMYD3 (0.62) SMYD3NPC1MITFALDH1A1HTT
SCHEMBL4071612 0.75 SMYD3 (0.60) SMYD3CDK2AKT1OPRD1
SCHEMBL19710614 0.73 SMYD3 (0.57) SMYD3CDK2AKT1OPRD1
SCHEMBL23886380 0.72 SMYD3 (0.56) SMYD3NPC1MITFALDH1A1HTT
SCHEMBL23886379 0.72 SMYD3 (0.56) SMYD3NPC1MITFALDH1A1HTT
SCHEMBL23898759 0.72 SMYD3 (0.56) SMYD3NPC1MITFALDH1A1HTT
SCHEMBL25484715 0.72 SMYD3 (0.56) SMYD3NPC1MITFALDH1A1HTT
SCHEMBL25174590 0.72 SMYD3 (0.56) SMYD3NPC1MITFALDH1A1HTT
SCHEMBL23898818 0.72 SMYD3 (0.56) SMYD3NPC1MITFALDH1A1HTT
SCHEMBL25174589 0.72 SMYD3 (0.56) SMYD3NPC1MITFALDH1A1HTT

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 1/4885NPC1 3576/4885CDK2 1905/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SMYD3 1/4885NPC1 3715/4885CDK2 2625/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SMYD3 1/4885NPC1 3734/4885CDK2 2667/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SMYD3 2/4885NPC1 3830/4885CDK2 2775/4885

“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.