SCHEMBL225327

SCHEMBL225327

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELOVL1 Q9BW60 2/20 0.74
▸ MAPT P10636 4/20 0.71
▸ MAPK1 P28482 2/20 0.67
▸ HDAC3 O15379 2/20 0.67
▸ HDAC4 P56524 2/20 0.67
▸ HDAC1 Q13547 2/20 0.67
▸ HDAC7 Q8WUI4 2/20 0.67
▸ HDAC2 Q92769 2/20 0.67
▸ HDAC10 Q969S8 2/20 0.67
▸ HDAC11 Q96DB2 2/20 0.67
▸ HDAC8 Q9BY41 2/20 0.67
▸ HDAC6 Q9UBN7 2/20 0.67
▸ HDAC9 Q9UKV0 2/20 0.67
▸ HDAC5 Q9UQL6 2/20 0.67
▸ NPC1 O15118 2/20 0.67
▸ USP2 O75604 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ MEN1 O00255 1/20 0.67

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
SCHEMBL1357607 0.87 ELOVL1 (0.72) ELOVL1MAPTMAPK1HDAC3HDAC4
SCHEMBL2452315 0.87 ELOVL1 (0.72) ELOVL1MAPTMAPK1HDAC3HDAC4
SCHEMBL21224224 0.87 ELOVL1 (0.72) ELOVL1MAPTMAPK1HDAC3HDAC4
SCHEMBL8402291 0.87 MAPT (0.73) ELOVL1MAPTMAPK1HDAC3HDAC4
SCHEMBL7256703 0.86 RAB9A (0.70) ELOVL1MAPTNPC1ALDH1A1MEN1
SCHEMBL5849033 0.86 MAPK1 (0.79) ELOVL1MAPTMAPK1HDAC3HDAC4
Hydrochloric Acid SCHEMBL21225294 0.85 ELOVL1 (0.71) ELOVL1MAPTMAPK1HDAC3HDAC4
SCHEMBL19380614 0.85 ELOVL1 (1.00) ELOVL1MAPTMAPK1MEN1KMT2A
SCHEMBL31496767 0.84 HDAC1 (0.70) ELOVL1MAPTMAPK1HDAC3HDAC4
SCHEMBL27836820 0.84 HDAC1 (0.70) ELOVL1MAPTMAPK1HDAC3HDAC4

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 ELOVL1 13/4885MAPT 3595/4885MAPK1 4118/4885
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ELOVL1 13/4885MAPT 3595/4885MAPK1 4118/4885

“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.

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