SCHEMBL23979598

SCHEMBL23979598

CCCCCCNC(=O)NCc1ccc2nc(C)n(C3CCCC(=O)NC3=O)c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 6/20 0.49
DDB1 Q16531 5/20 0.49
TNF P01375 1/20 0.39
IL1B P01584 1/20 0.39
IKZF3 Q9UKT9 1/20 0.39
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BCHE P06276 5/20 0.36
ACHE P22303 5/20 0.36
BACE1 P56817 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL3653428 0.95 CRBN (0.55) CRBNDDB1TNFIL1BIKZF3
SCHEMBL23979475 0.91 DDB1 (0.49) CRBNDDB1TNFIL1BIKZF3
SCHEMBL12638511 0.89 CRBN (0.45) CRBNDDB1TNFIL1BIKZF3
SCHEMBL18595132 0.85 CRBN (0.55) CRBNDDB1TNFIL1BIKZF3
SCHEMBL13806967 0.85 CRBN (0.55) CRBNDDB1TNFIL1BIKZF3
SCHEMBL26192453 0.85 CRBN (0.55) CRBNDDB1TNFIL1BIKZF3
SCHEMBL23980066 0.85 DDB1 (0.54) CRBNDDB1TNFIL1BIKZF3
SCHEMBL16221487 0.85 CRBN (0.56) CRBNDDB1TNFIL1BIKZF3
SCHEMBL23979588 0.84 DDB1 (0.53) CRBNDDB1TNFIL1BIKZF3
SCHEMBL26192531 0.83 DDB1 (0.38) CRBNDDB1LMNATSHRNPSR1

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-11773080-B2 Deuterium-enriched isoindolinonyl-azepanediones and related compounds and methods of treating medical disorders using same SALARIUS PHARMACEUTICALS, INC. (US) 2023-10-03 US disclosed
US-20210340125-A1 DEUTERIUM-ENRICHED ISOINDOLINONYL-AZEPANEDIONES AND RELATED COMPOUNDS AND METHODS OF TREATING MEDICAL DISORDERS USING SAME SALARIUS PHARMACEUTICALS, INC. 2021-11-04 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 (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-11773080-B2 Deuterium-enriched isoindolinonyl-azepanediones and related compounds and methods of treating medical disorders using same HPGDS, HPGD, AQP3 CRBN 1079/4885DDB1 690/4885TNF 2820/4885
US-20210340125-A1 DEUTERIUM-ENRICHED ISOINDOLINONYL-AZEPANEDIONES AND RELATED COMPOUNDS AND METHODS OF TREATING MEDICAL DISORDERS USING SAME HPGDS, HPGD, AQP3 CRBN 1079/4885DDB1 690/4885TNF 2820/4885

“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.