SCHEMBL2383573

SCHEMBL2383573

O=C(NC1CCCC1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.97

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
RAB9A P51151 1/20 0.61
EPHX1 P07099 4/20 0.58
FAAH O00519 1/20 0.55
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LHCGR P22888 1/20 0.51

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
SCHEMBL4182633 0.99 ALDH1A1 (0.64) ALDH1A1RAB9AEPHX1FAAHPOLB
SCHEMBL4175464 0.99 ALDH1A1 (0.64) ALDH1A1RAB9AEPHX1FAAHPOLB
SCHEMBL4070011 0.99 ALDH1A1 (0.64) ALDH1A1RAB9AEPHX1FAAHPOLB
SCHEMBL2382987 0.94 EPHX2 (0.53) ALDH1A1RAB9AEPHX1GAA
SCHEMBL31417142 0.89 MAPT (0.53) ALDH1A1RAB9AEPHX1GAAMAPT
SCHEMBL25994 0.87 MGLL (0.47) ALDH1A1RAB9AEPHX1GAA
SCHEMBL3064575 0.85 EPHX2 (0.47) ALDH1A1RAB9AEPHX1GAA
SCHEMBL12436790 0.85 MGLL (0.48) ALDH1A1RAB9AEPHX1GAA
SCHEMBL29157993 0.84 DRD2 (0.52) ALDH1A1RAB9AEPHX1GAA
SCHEMBL28316708 0.84 CYP1A2 (0.51) ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012997-B2 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION (US) 2011-09-06 US disclosed
EP-2168958-A1 Isoindole-Imide Compounds, Compositions And Uses Thereof CELGENE CORPORATION (US) 2010-03-31 EP disclosed
US-20090286986-A1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS, AND USES THEREOF CELGENE CORPORATION 2009-11-19 US disclosed
US-7576104-B2 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION (US) 2009-08-18 US disclosed
EP-1767533-A1 N-{(2-(2,6-dioxo(3-piperidyl)-1,3-dioxo-2,3-dihydro-1H-isoindolin-4-yl)methyl}cyclopropylcarboxamide as TNF inhibitor CELGENE CORPORATION (US) 2007-03-28 EP disclosed
EP-1363900-B1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF CELGENE CORP (US) 2007-01-24 EP disclosed
US-7091353-B2 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION (US) 2006-08-15 US disclosed
US-20060025597-A1 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION 2006-02-02 US disclosed
US-20030096841-A1 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION 2003-05-22 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 (3 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-20090286986-A1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS, AND USES THEREOF TNF, IKZF3, TNFRSF1A ALDH1A1 2190/4885RAB9A 996/4885EPHX1 2828/4885
US-20060025597-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, TNFRSF1A ALDH1A1 2190/4885RAB9A 996/4885EPHX1 2828/4885
US-20030096841-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, IKZF1 ALDH1A1 2514/4885RAB9A 1120/4885EPHX1 2990/4885

“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.