SCHEMBL222738

SCHEMBL222738

CCOC(=O)CC(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.82
MAPT P10636 8/20 0.69
KMT2A Q03164 3/20 0.69
ALDH1A1 P00352 4/20 0.68
MEN1 O00255 2/20 0.68
GLA P06280 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
CASP3 P42574 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
ELOVL1 Q9BW60 1/20 0.63
SLC12A2 P55011 1/20 0.62
SLC12A5 Q9H2X9 1/20 0.62
MAPK1 P28482 3/20 0.61
APP P05067 1/20 0.60
KDM4E B2RXH2 1/20 0.58
S1PR2 O95136 1/20 0.58
NR2F2 P24468 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL10807092 0.86 PARP1 (0.72) PARP1MAPTKMT2AALDH1A1MEN1
SCHEMBL30031245 0.84 PARP1 (0.61) PARP1MAPTKMT2AALDH1A1MEN1
SCHEMBL26967624 0.84 PARP1 (0.61) PARP1MAPTKMT2AALDH1A1MEN1
SCHEMBL8402291 0.84 MAPT (0.73) PARP1MAPTKMT2AALDH1A1MEN1
SCHEMBL11139118 0.84 PARP1 (0.69) PARP1MAPTKMT2AALDH1A1MEN1
SCHEMBL225327 0.83 ELOVL1 (0.74) MAPTKMT2AALDH1A1MEN1NPC1
SCHEMBL10429605 0.81 RAB9A (0.95) PARP1MAPTKMT2AALDH1A1MEN1
SCHEMBL9416788 0.80 SMN1; SMN2 (0.59) PARP1MAPTALDH1A1NPC1RAB9A
SCHEMBL19981420 0.80 PARP1 (0.64) PARP1MAPTKMT2AALDH1A1MEN1
SCHEMBL15661952 0.80 MAPT (0.61) PARP1MAPTKMT2AALDH1A1MEN1

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-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 US disclosed
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 US disclosed
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 US disclosed
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 US disclosed
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 US disclosed
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 US disclosed
CN-102036666-A Novel piperazine derivatives as inhibitors of stearoyl-coA desaturase FOREST LAB HOLDINGS LTD 2011-04-27 CN disclosed
EP-2307023-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-04-13 EP disclosed
WO-2009117659-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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 (2 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-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PARP1 1257/4885MAPT 3595/4885KMT2A 1389/4885
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PARP1 1257/4885MAPT 3595/4885KMT2A 1389/4885

“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.