SCHEMBL23575893

SCHEMBL23575893

NCCC(=O)NC1CCC(NC(=O)c2n[nH]c3ccccc23)CC1

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 0.71
RAB9A P51151 1/20 0.71
USP30 Q70CQ3 1/20 0.55
CHRNA7 P36544 3/20 0.54
HTR3A P46098 2/20 0.54
KDM4E B2RXH2 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
YTHDC1 Q96MU7 1/20 0.51
USP2 O75604 1/20 0.51
HSD17B10 Q99714 1/20 0.51
WNT1 P04628 1/20 0.50
DYRK1A Q13627 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 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
SCHEMBL19710407 1.00 SMYD3 (1.00) SMYD3NPC1RAB9AUSP30CHRNA7
SCHEMBL19710468 0.85 NPC1 (0.78) SMYD3NPC1RAB9AUSP30CHRNA7
SCHEMBL21489892 0.85 NPC1 (0.78) SMYD3NPC1RAB9AUSP30CHRNA7
SCHEMBL30068489 0.84 NPC1 (0.80) SMYD3NPC1RAB9AUSP30CHRNA7
SCHEMBL4384530 0.82 NPC1 (0.82) SMYD3NPC1RAB9AUSP30CHRNA7
SCHEMBL26400414 0.82 NPC1 (0.97) SMYD3NPC1RAB9AUSP30CHRNA7
SCHEMBL29732688 0.78 NPC1 (0.74) SMYD3NPC1RAB9AUSP30CHRNA7
SCHEMBL6950689 0.78 NPC1 (0.74) SMYD3NPC1RAB9AUSP30CHRNA7
SCHEMBL21489781 0.77 SMYD3 (0.70) SMYD3NPC1RAB9AHDAC3HDAC1
SCHEMBL19710071 0.77 SMYD3 (0.70) SMYD3NPC1RAB9AHDAC3HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 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 (1 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

“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.