SCHEMBL224450

SCHEMBL224450

O=C(O)CC(=O)Nc1ccc(-c2ccccc2)cn1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
DEGS1 O15121 1/20 0.52
DGAT1 O75907 1/20 0.52
USP30 Q70CQ3 1/20 0.52

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
SCHEMBL16238156 0.86 NPC1 (0.61) WNT3AMEN1KMT2ASLC6A2SLC6A3
SCHEMBL29359083 0.86 WNT3A (0.60) WNT3AMEN1KMT2ASLC6A2SLC6A3
SCHEMBL21286264 0.84 WNT3A (0.78) WNT3AMEN1KMT2ASLC6A2SLC6A3
SCHEMBL4876684 0.83 DEGS1 (0.58) WNT3AMEN1KMT2ADEGS1DGAT1
SCHEMBL10008587 0.82 LMNA (0.71) WNT3AMEN1KMT2ADEGS1
SCHEMBL30338494 0.80 PTK2 (0.57) WNT3AMEN1KMT2ADEGS1
SCHEMBL21076598 0.80 WNT3A (0.75) WNT3AMEN1KMT2ASLC6A2SLC6A3
SCHEMBL23566420 0.79 DEGS1 (0.75) MEN1KMT2ADEGS1DGAT1
SCHEMBL12332129 0.79 WNT3A (0.73) WNT3AMEN1KMT2ASLC6A2SLC6A3
SCHEMBL27925932 0.79 WNT3A (0.59) WNT3AMEN1KMT2ASLC6A2SLC6A3

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 6 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-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

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 WNT3A 3473/4885MEN1 4883/4885KMT2A 1389/4885
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 WNT3A 3473/4885MEN1 4883/4885KMT2A 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.