SCHEMBL70310

SCHEMBL70310

O=C(O)CNC(=O)c1cc(-c2ccccc2OCc2ccccc2)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
SGMS2 Q8NHU3 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGER1 P34995 5/20 0.44
PTGER4 P35408 3/20 0.44
PTGER3 P43115 3/20 0.44
PTGER2 P43116 3/20 0.44
BRD4 O60885 2/20 0.43
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL70294 0.85 HPGD (0.56) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL13282295 0.85 PTGDR2 (0.47) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL1066556 0.85 IDO1 (0.54) IDO1PTGER1PTGER4PTGER3PTGER2
SCHEMBL70828 0.82 HPGD (0.64) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL69174 0.81 SPHK2 (0.48) NPC1RAB9A
SCHEMBL1221861 0.80 ALOX15 (0.49) HPGDHSD17B10MAPTLMNAL3MBTL1
SCHEMBL69431 0.79 KMT2A (0.52) IDO1NPSR1PTGER1BRD4POLB
SCHEMBL25356580 0.77 PTGER1 (0.41) SGMS2ALDH1A1HPGDKDM4ENPSR1
SCHEMBL69243 0.77 RAB9A (0.50) ALDH1A1MAPTPOLBLMNANPC1
SCHEMBL70869 0.76 NOTUM (0.43) ALDH1A1HPGDKDM4ENPSR1MAPT

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 7 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
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US 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

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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 IDO1 1506/4885SGMS2 60/4885ALDH1A1 969/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 IDO1 1386/4885SGMS2 63/4885ALDH1A1 784/4885

“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.