SCHEMBL23979376

SCHEMBL23979376

NC1(C(=O)OCc2ccccc2)CCCC(=O)NC1=O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.64
CRBN Q96SW2 1/20 0.64
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL1398152 0.92 CRBN (0.71) DDB1CRBNNPC1GAAMAPK1
SCHEMBL23979389 0.82 DDB1 (0.51) DDB1CRBNGAAMAPK1ALDH1A1
SCHEMBL19586342 0.79 CRBN (1.00) DDB1CRBNNPC1GAAMAPK1
Benzyl Carbamate SCHEMBL27635252 0.75 DDB1 (0.55) DDB1CRBNNPC1GAAMAPK1
SCHEMBL1144346 0.73 DDB1 (0.51) DDB1CRBNMAPK1NR1H2NR1H3
SCHEMBL3192 0.73 DDB1 (0.51) DDB1CRBNMAPK1ALDH1A1
SCHEMBL2542693 0.73 DDB1 (0.54) DDB1CRBNMAPK1ALDH1A1
SCHEMBL12041931 0.72 DDB1 (0.58) DDB1CRBNGAASMN1; SMN2ALDH1A1
SCHEMBL10611547 0.72 DDB1 (0.62) DDB1CRBNNPC1GAAMAPK1
SCHEMBL1841706 0.72 DDB1 (0.50) DDB1CRBNMAPK1ALDH1A1

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 DDB1 690/4885CRBN 1079/4885NPC1 1384/4885
US-20210340125-A1 DEUTERIUM-ENRICHED ISOINDOLINONYL-AZEPANEDIONES AND RELATED COMPOUNDS AND METHODS OF TREATING MEDICAL DISORDERS USING SAME HPGDS, HPGD, AQP3 DDB1 690/4885CRBN 1079/4885NPC1 1384/4885

“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.