SCHEMBL70743

SCHEMBL70743

O=C(O)CC(=O)Nc1nc(-c2ccccc2)ns1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.76
NPC1 O15118 5/20 0.76
RAB9A P51151 5/20 0.76
HTT P42858 3/20 0.76
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
LMNA P02545 5/20 0.72
ADORA3 P0DMS8 10/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
TP53 P04637 2/20 0.63
POLB P06746 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
RXFP1 Q9HBX9 1/20 0.60
MAPT P10636 4/20 0.59
GFER P55789 1/20 0.59
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
USP2 O75604 1/20 0.56

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
SCHEMBL9892914 0.87 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL9852174 0.84 ADORA3 (0.77) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL9852328 0.83 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL71744 0.83 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL29530821 0.81 ADORA3 (1.00) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL20458189 0.81 ADORA3 (0.72) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL16254958 0.81 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL9852376 0.78 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL9891525 0.78 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL9891806 0.78 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AHTTMEN1

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-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090239810-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 (1 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SMN1; SMN2 3937/4885NPC1 201/4885RAB9A 3858/4885

“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.