SCHEMBL2382952

SCHEMBL2382952

O=C(O)c1cccc(NCc2cccc(Cl)c2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.53
APEX1 P27695 1/20 0.52
CD38 P28907 1/20 0.50
ACLY P53396 2/20 0.49
RPS6KB1 P23443 2/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AKT1 P31749 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL2382953 0.85 LMNA (0.50) MRGPRX4APEX1CD38ALDH1A1HPGD
SCHEMBL2382951 0.80 CD38 (0.50) MRGPRX4APEX1CD38RPS6KB1ALDH1A1
SCHEMBL13802473 0.78 MRGPRX4 (0.57) MRGPRX4APEX1CD38ACLYRPS6KB1
SCHEMBL21510409 0.78 HSD17B10 (0.57) APEX1ALDH1A1POLBHPGDHSD17B10
SCHEMBL2382365 0.77 USP2 (0.58) RPS6KB1ALDH1A1POLBHPGDHSD17B10
SCHEMBL28856662 0.76 ACLY (0.48) MRGPRX4APEX1CD38ACLYRPS6KB1
SCHEMBL1403529 0.76 APEX1 (0.50) MRGPRX4APEX1ACLYRPS6KB1ALDH1A1
SCHEMBL30829269 0.76 PLK1 (0.46) ACLYRPS6KB1ALDH1A1POLBHPGD
SCHEMBL21492988 0.76 PLK1 (0.46) ACLYRPS6KB1ALDH1A1POLBHPGD
SCHEMBL4217682 0.75 MAPT (0.77) ALDH1A1HSD17B10HDAC6KDM4ENPC1

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 16 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
US-8012997-B2 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION (US) 2011-09-06 US disclosed
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-20090286986-A1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS, AND USES THEREOF CELGENE CORPORATION 2009-11-19 US 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
US-7576104-B2 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION (US) 2009-08-18 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
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
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 (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 MRGPRX4 2560/4885APEX1 4082/4885CD38 3255/4885
US-20060025597-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, TNFRSF1A MRGPRX4 2560/4885APEX1 4082/4885CD38 3255/4885
US-20030096841-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, IKZF1 MRGPRX4 2503/4885APEX1 4119/4885CD38 3385/4885

“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.