SCHEMBL3519685

SCHEMBL3519685

COC(=O)c1cccc2nc(CN3CCC(O)CC3)[nH]c(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
GAA P10253 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
ALOX12 P18054 1/20 0.41
CDC7 O00311 1/20 0.41
DRD4 P21917 2/20 0.41
MLLT1 Q03111 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL50840 0.89 MLLT1 (0.50) GAAALDH1A1MAPTTSHRHSD17B10
SCHEMBL83409 0.89 MLLT1 (0.52) GAAALDH1A1MAPTTSHRHSD17B10
SCHEMBL3517823 0.88 MEN1 (0.43) POLBGAAALDH1A1MAPTTSHR
SCHEMBL3518675 0.84 MLLT1 (0.44) POLBGAAALDH1A1MAPTTSHR
SCHEMBL51858 0.79 KDM4E (0.41) SMN1; SMN2GAAALDH1A1MAPTTSHR
SCHEMBL61188 0.79 TNKS2 (0.50) SMN1; SMN2GAAALDH1A1MAPTTSHR
SCHEMBL3520029 0.78 KDM4E (0.45) SMN1; SMN2GAAALDH1A1MAPTTSHR
SCHEMBL3515927 0.78 KDM4E (0.40) SMN1; SMN2GAAALDH1A1MAPTTSHR
SCHEMBL50996 0.76 KMT2A (0.41) SMN1; SMN2GAAALDH1A1TSHRHSD17B10
SCHEMBL14550565 0.75 GAA (0.45) POLBGAAALDH1A1MAPTTSHR

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-20150141429-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE EISAI INC. (US) 2015-05-21 US disclosed
EP-2842956-A1 PARP inhibitor compounds, compositions and methods of use Eisai Inc. (US) 2015-03-04 EP disclosed
US-8894989-B2 PARP inhibitor compounds, compositions and methods of use EISAI INC. (US) 2014-11-25 US disclosed
EP-2209375-B1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE EISAI INC (US) 2014-08-27 EP disclosed
US-20130011365-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE EISAI INC. (US) 2013-01-10 US disclosed
US-8236802-B2 PARP inhibitor compounds, compositions and methods of use EISAI INC. (US) 2012-08-07 US disclosed
EP-2209375-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE Eisai Inc. (US) 2010-07-28 EP disclosed
US-20090098084-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE MGI GP, INC. (US) 2009-04-16 US disclosed
WO-2009046205-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE EISAI RESEARCH INSTITUTE (US) 2009-04-09 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-20150141429-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE PARP1, PARP3, PARP2 SMN1; SMN2 1340/4885POLB 45/4885THRB 3038/4885
US-20090098084-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE PARP1, PARP3, PARP2 SMN1; SMN2 1340/4885POLB 45/4885THRB 3038/4885
US-20130011365-A1 PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE PARP1, PARP3, PARP2 SMN1; SMN2 1615/4885POLB 50/4885THRB 2937/4885

“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.