SCHEMBL68906

SCHEMBL68906

O=C(O)CNC(=O)c1cc(-c2ccccc2)on1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.70
RAB9A P51151 7/20 0.67
KMT2A Q03164 7/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
NPC1 O15118 5/20 0.67
LMNA P02545 3/20 0.67
FAAH O00519 2/20 0.67
MAPK1 P28482 1/20 0.67
ALDH1A1 P00352 3/20 0.63
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HPGD P15428 2/20 0.61
MEN1 O00255 2/20 0.58
MAPT P10636 1/20 0.58
PKM P14618 1/20 0.58

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
SCHEMBL71292 0.87 HDAC6 (0.71) HIF1ARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL17079182 0.87 HIF1A (0.73) HIF1ARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL17788443 0.86 HIF1A (0.68) HIF1ARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL17510986 0.85 HIF1A (0.75) HIF1ARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL18593297 0.84 ALDH1A1 (0.67) HIF1ARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL68989 0.84 HIF1A (0.58) HIF1ARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL12349834 0.84 TP53 (0.78) HIF1ARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL17511094 0.84 HIF1A (0.73) HIF1ARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL17652547 0.83 HIF1A (0.81) HIF1ARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL16486106 0.82 FAAH (0.95) HIF1ARAB9AKMT2ASMN1; SMN2NPC1

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
CN-102036558-A Novel piperidine derivatives as stearoyl-CoA desaturase inhibitors FOREST LAB HOLDINGS LTD 2011-04-27 CN 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
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 HIF1A 1520/4885RAB9A 3858/4885KMT2A 1352/4885

“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.