SCHEMBL21489902

SCHEMBL21489902

Cn1c(C(=O)NC2CCC(N)CC2)cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.56
HSD17B10 Q99714 5/20 0.54
KDM4E B2RXH2 5/20 0.54
TSHR P16473 1/20 0.54
CREBBP Q92793 1/20 0.54
SMYD3 Q9H7B4 6/20 0.53
MCL1 Q07820 1/20 0.51
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.49
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC9A1 P19634 1/20 0.48

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
SCHEMBL19701326 1.00 CHRNA7 (0.56) CHRNA7HSD17B10KDM4ETSHRCREBBP
SCHEMBL2276515 0.93 CHRNA7 (0.61) CHRNA7HSD17B10KDM4ETSHRCREBBP
SCHEMBL21489788 0.85 SMYD3 (0.53) CHRNA7HSD17B10KDM4ETSHRCREBBP
SCHEMBL19701325 0.85 SMYD3 (0.53) CHRNA7HSD17B10KDM4ETSHRCREBBP
SCHEMBL3598403 0.80 CHRNA7 (0.54) CHRNA7HSD17B10KDM4ETSHRCREBBP
SCHEMBL3598401 0.80 CHRNA7 (0.54) CHRNA7HSD17B10KDM4ETSHRCREBBP
SCHEMBL30525414 0.76 MCL1 (0.65) CHRNA7MCL1GAAMEN1NPC1
SCHEMBL8252421 0.76 CHRNA7 (0.52) CHRNA7HSD17B10KDM4EMCL1CNR2
SCHEMBL4153134 0.76 CHRNA7 (0.52) CHRNA7HSD17B10KDM4EMCL1CNR2
SCHEMBL8248425 0.75 CHRNA7 (0.54) CHRNA7HSD17B10KDM4EMCL1CNR2

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 CHRNA7 4717/4885HSD17B10 2515/4885KDM4E 139/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 CHRNA7 4700/4885HSD17B10 2639/4885KDM4E 233/4885

“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.