SCHEMBL2383400

SCHEMBL2383400

COC(=O)c1c(C(=O)O)ccc(C)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
HPGD P15428 4/20 0.43
TSHR P16473 3/20 0.43
POLB P06746 2/20 0.43
PKM P14618 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PDGFRB P09619 1/20 0.38

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
SCHEMBL2598195 0.85 TDP1 (0.49) ALDH1A1HPGDTSHRPOLBPKM
SCHEMBL12190644 0.85 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD
SCHEMBL11638782 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD
SCHEMBL27320319 0.80 MEN1 (0.44) ALDH1A1KMT2AMEN1HPGDTSHR
SCHEMBL28300921 0.80 TSHR (0.53) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
SCHEMBL15398667 0.80 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD
SCHEMBL27862571 0.80 TSHR (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD
SCHEMBL9676578 0.79 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD
SCHEMBL29046043 0.78 PKM (0.55) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD
SCHEMBL9460792 0.78 TSHR (0.53) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD

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 12 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
EP-1363900-A1 ISOINDOLE-IMIDE COMPOUNDS AS TNF-INHIBITORS CELGENE CORPORATION (US) 2003-11-26 EP disclosed
US-20030096841-A1 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION 2003-05-22 US disclosed
US-20030045552-A1 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION 2003-03-06 US disclosed
WO-2002059106-A1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS, AND USES THEREOF CELGENE CORPORATION (US) 2002-08-01 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 (4 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-20030045552-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, IKZF1 SMN1; SMN2 1426/4885ALDH1A1 2514/4885KMT2A 4367/4885
US-20090286986-A1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS, AND USES THEREOF TNF, IKZF3, TNFRSF1A SMN1; SMN2 1444/4885ALDH1A1 2190/4885KMT2A 4414/4885
US-20060025597-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, TNFRSF1A SMN1; SMN2 1444/4885ALDH1A1 2190/4885KMT2A 4414/4885
US-20030096841-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, IKZF1 SMN1; SMN2 1426/4885ALDH1A1 2514/4885KMT2A 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.