SCHEMBL19701302

SCHEMBL19701302

N[C@H]1CC[C@H](NC(=O)c2nccc3ccccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
SMYD3 Q9H7B4 9/20 0.49
PBK Q96KB5 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
CNR2 P34972 1/20 0.46
WNT1 P04628 1/20 0.44
DYRK1A Q13627 1/20 0.44
ACKR3 P25106 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL23575920 1.00 RAB9A (0.51) RAB9ASMYD3PBKCHRNB2CHRNA7
SCHEMBL6084369 0.87 KAT2B (0.56) RAB9ACHRNB2CHRNA7CHRNA4CNR2
SCHEMBL6084376 0.87 KAT2B (0.56) RAB9ACHRNB2CHRNA7CHRNA4CNR2
SCHEMBL22449379 0.86 HIF1A (0.56) RAB9AACKR3
SCHEMBL19701301 0.85 SMYD3 (0.61) RAB9ASMYD3CHRNB2CHRNA7CHRNA4
SCHEMBL23575894 0.85 SMYD3 (0.61) RAB9ASMYD3CHRNB2CHRNA7CHRNA4
SCHEMBL3125620 0.80 RAB9A (0.49) RAB9ACHRNB2CHRNA7CHRNA4CNR2
SCHEMBL7391725 0.78 ALDH1A1 (0.63) CHRNB2CHRNA4
SCHEMBL14428750 0.77 CHRNB2 (0.46) RAB9ACHRNB2CHRNA7CHRNA4ACKR3
SCHEMBL21490080 0.77 SMYD3 (0.51) SMYD3PBKWNT1DYRK1AELANE

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-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
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 RAB9A 1388/4885SMYD3 1/4885PBK 4507/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 RAB9A 893/4885SMYD3 1/4885PBK 4705/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 RAB9A 890/4885SMYD3 1/4885PBK 4706/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 RAB9A 736/4885SMYD3 2/4885PBK 4541/4885

“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.