SCHEMBL4390832

SCHEMBL4390832

O=C1CCC(NCc2ccc([N+](=O)[O-])cc2)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 9/20 0.53
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
DDB1 Q16531 6/20 0.47
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 2/20 0.44
EPHX1 P07099 1/20 0.44
GRIN2B Q13224 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4393903 0.85 POLB (0.57) CRBNALDH1A1KDM4EDDB1GRIN2B
SCHEMBL24621954 0.81 CRBN (0.67) CRBNALDH1A1KDM4EDDB1EPHX1
SCHEMBL4387924 0.81 CRBN (0.62) CRBNALDH1A1DDB1
SCHEMBL4401505 0.81 CRBN (0.51) CRBNDDB1
SCHEMBL4393875 0.81 CRBN (0.51) CRBNDDB1
SCHEMBL4396934 0.80 CRBN (0.60) CRBNDDB1
SCHEMBL19370861 0.80 CRBN (0.60) CRBNDDB1
SCHEMBL4389196 0.80 CRBN (0.60) CRBNDDB1
SCHEMBL8656203 0.80 CRBN (0.65) CRBNDDB1LMNAMAPT
SCHEMBL5567663 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EBCHEACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252144-B1 SUBSTITUTED GLUTARIMIDES AND USE THEREOF IL-12 PRODUCTION INHIBITORS GRUENENTHAL GMBH (DE) 2009-12-09 EP disclosed
US-20040048859-A1 Substituted glutarimides and their use as inhibitors of IL-12 production GRUENENTHAL GMBH (DE) 2004-03-11 US disclosed
US-6656937-B2 Immunology moderators; interleukin antagonist; anticancer agents GRUENENTHAL, GMBH (DE) 2003-12-02 US disclosed
US-20030064987-A1 Substituted glutarimides and their use as inhibitors of IL-12 production GRUENENTHAL GMBH 2003-04-03 US disclosed
EP-1252144-A1 SUBSTITUTED GLUTARIMIDES AND USE THEREOF IL-12 PRODUCTION INHIBITORS Grünenthal GmbH (DE) 2002-10-30 EP disclosed
WO-2001053261-A1 SUBSTITUTED GLUTARIMIDES AND USE THEREOF IL-12 PRODUCTION INHIBITORS Grünenthal GmbH (DE) 2001-07-26 WO 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-20040048859-A1 Substituted glutarimides and their use as inhibitors of IL-12 production GCDH, IL4I1, IL2 CRBN 949/4885ALDH1A1 142/4885KDM4E 1693/4885
US-20030064987-A1 Substituted glutarimides and their use as inhibitors of IL-12 production GCDH, IL4I1, IL2 CRBN 949/4885ALDH1A1 142/4885KDM4E 1693/4885

“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.