SCHEMBL2383571

SCHEMBL2383571

O=C(O)N(c1ccc([N+](=O)[O-])cc1)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
CRHBP P24387 1/20 0.45
ATM Q13315 1/20 0.45
CRHR2 Q13324 1/20 0.45
TLR9 Q9NR96 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
EPHX1 P07099 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2382981 0.94 CHRM2 (0.52) CHRM2CHRM3KMT2AMEN1ALDH1A1
SCHEMBL3610883 0.81 NPC1 (0.47) CHRM2CHRM3KMT2AMEN1ALDH1A1
SCHEMBL3610878 0.81 NPC1 (0.47) CHRM2CHRM3KMT2AMEN1ALDH1A1
SCHEMBL11407980 0.78 MEN1 (0.65) CHRM2CHRM3KMT2AMEN1ALDH1A1
SCHEMBL24410 0.76 CHRM2 (0.40) CHRM2CHRM3KMT2AMEN1ALDH1A1
SCHEMBL7368767 0.76 MEN1 (0.61) CHRM2CHRM3KMT2AMEN1ALDH1A1
SCHEMBL6215102 0.76 KDM4E (0.68) CHRM2CHRM3KMT2AMEN1ALDH1A1
SCHEMBL27959469 0.76 ALDH1A1 (0.55) CHRM2CHRM3KMT2AMEN1ALDH1A1
SCHEMBL2712659 0.76 MEN1 (0.62) CHRM2CHRM3KMT2AMEN1ALDH1A1
SCHEMBL1690729 0.76 RAB9A (0.50) KMT2AMEN1ALDH1A1KDM4ELMNA

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 CHRM2 1234/4885CHRM3 801/4885KMT2A 4414/4885
US-20060025597-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, TNFRSF1A CHRM2 1234/4885CHRM3 801/4885KMT2A 4414/4885
US-20030096841-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, IKZF1 CHRM2 1319/4885CHRM3 809/4885KMT2A 4367/4885

“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.