SCHEMBL15945432

SCHEMBL15945432

[2H][C@]1(n2c(C)nc3cccc([N+](=O)[O-])c3c2=O)CCC(=O)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 11/20 0.54
DDB1 Q16531 9/20 0.54
TNF P01375 1/20 0.54
IL1B P01584 1/20 0.54
IKZF3 Q9UKT9 1/20 0.54
GRM2 Q14416 1/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TYMS P04818 1/20 0.34
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL15945434 1.00 CRBN (0.54) CRBNDDB1TNFIL1BIKZF3
SCHEMBL29442254 1.00 CRBN (0.54) CRBNDDB1TNFIL1BIKZF3
SCHEMBL29442250 1.00 CRBN (0.54) CRBNDDB1TNFIL1BIKZF3
SCHEMBL282871 0.88 CRBN (0.70) CRBNDDB1TNFIL1BIKZF3
SCHEMBL26764344 0.88 CRBN (0.70) CRBNDDB1TNFIL1BIKZF3
SCHEMBL29922128 0.88 CRBN (0.70) CRBNDDB1TNFIL1BIKZF3
SCHEMBL15945433 0.85 DDB1 (0.60) CRBNDDB1TNFIL1BIKZF3
Avadomide SCHEMBL15945429 0.83 CRBN (0.77) CRBNDDB1TNFIL1BIKZF3
Avadomide SCHEMBL15945431 0.83 CRBN (0.77) CRBNDDB1TNFIL1BIKZF3
Avadomide SCHEMBL15945430 0.83 CRBN (0.77) CRBNDDB1TNFIL1BIKZF3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158579-A1 3-(5-SUBSTITUTED-4-OXOQUINAZOLIN-3(4H)-YL)-3-DEUTERO-PIPERIDINE-2,6-DIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SALARIUS PHARMACEUTICALS, INC. 2017-06-08 US disclosed
US-9540340-B2 3-(5-substituted-4-oxoquinazolin-3(4H)-yl)-3-deutero-piperidine-2,6-dione derivatives and compositions comprising and methods of using the same DEUTERX, LLC (US) 2017-01-10 US disclosed
US-20140228382-A1 3-(5-SUBSTITUTED-4-OXOQUINAZOLIN-3(4H)-YL)-3-DEUTERO-PIPERIDINE-2,6-DIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-14 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 (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-20140228382-A1 3-(5-SUBSTITUTED-4-OXOQUINAZOLIN-3(4H)-YL)-3-DEUTERO-PIPERIDINE-2,6-DIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME IL5, TLR5, IDO1 CRBN 1871/4885DDB1 1162/4885TNF 653/4885
US-20170158579-A1 3-(5-SUBSTITUTED-4-OXOQUINAZOLIN-3(4H)-YL)-3-DEUTERO-PIPERIDINE-2,6-DIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME IL5, TLR5, IDO1 CRBN 1871/4885DDB1 1162/4885TNF 653/4885

“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.