SCHEMBL70294

SCHEMBL70294

COc1ccccc1-c1cc(C(=O)NCC(=O)O)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.56
HSD17B10 Q99714 10/20 0.56
ALDH1A1 P00352 9/20 0.56
KDM4E B2RXH2 9/20 0.56
NPSR1 Q6W5P4 5/20 0.56
MAPT P10636 6/20 0.51
RAB9A P51151 3/20 0.51
LMNA P02545 3/20 0.51
NPC1 O15118 3/20 0.51
GAA P10253 2/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.46
CHRNA3 P32297 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44

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
SCHEMBL13282295 0.85 PTGDR2 (0.47) HPGDHSD17B10ALDH1A1KDM4ENPSR1
SCHEMBL70310 0.85 IDO1 (0.47) HPGDHSD17B10ALDH1A1KDM4ENPSR1
SCHEMBL13779277 0.85 HSD17B10 (0.58) HPGDHSD17B10ALDH1A1KDM4ENPSR1
SCHEMBL1528145 0.83 KMT2A (0.55) HPGDHSD17B10ALDH1A1KDM4ENPSR1
SCHEMBL1221861 0.83 ALOX15 (0.49) HPGDHSD17B10MAPTRAB9ALMNA
SCHEMBL29930951 0.82 HSD17B10 (0.60) HPGDHSD17B10ALDH1A1KDM4ENPSR1
SCHEMBL71938 0.82 HSD17B10 (0.60) HPGDHSD17B10ALDH1A1KDM4ENPSR1
SCHEMBL4820546 0.80 HSD17B10 (0.54) HPGDHSD17B10ALDH1A1KDM4ENPSR1
SCHEMBL69243 0.79 RAB9A (0.50) ALDH1A1MAPTRAB9ALMNANPC1
SCHEMBL70869 0.79 NOTUM (0.43) HPGDALDH1A1KDM4ENPSR1MAPT

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
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 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
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 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 (3 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-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 HPGD 503/4885HSD17B10 80/4885ALDH1A1 969/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 HPGD 482/4885HSD17B10 101/4885ALDH1A1 784/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 HPGD 503/4885HSD17B10 80/4885ALDH1A1 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.