SCHEMBL223375

SCHEMBL223375

CCOC(=O)CC(=O)Nc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.47
F10 P00742 4/20 0.46
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
PORCN Q9H237 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL6525810 0.85 MAPT (0.57) TSHRALDH1A1F10GAAHSD17B10
SCHEMBL221944 0.81 F10 (0.48) ALDH1A1F10GAAMEN1KMT2A
SCHEMBL679125 0.79 TSHR (0.69) TSHRMAPK1ALDH1A1GAAHSD17B10
SCHEMBL22353066 0.78 MEN1 (0.52) ALDH1A1F10GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL7130171 0.77 TSHR (0.67) TSHRMAPK1ALDH1A1GAAHSD17B10
SCHEMBL70342 0.76 TSHR (0.66) TSHRMAPK1ALDH1A1GAAHSD17B10
SCHEMBL8142603 0.76 TSHR (0.73) TSHRALDH1A1GAAHSD17B10MEN1
SCHEMBL1029627 0.76 F10 (0.58) F10
SCHEMBL1029626 0.76 F10 (0.58) F10
SCHEMBL8261107 0.76 F10 (0.58) F10

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 13 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
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 TSHR 4601/4885MAPK1 4118/4885ALDH1A1 969/4885
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 TSHR 4601/4885MAPK1 4118/4885ALDH1A1 969/4885

“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.