SCHEMBL71738

SCHEMBL71738

O=C(O)CNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 7/20 0.51
RAB9A P51151 3/20 0.49
APP P05067 1/20 0.47
KIT P10721 2/20 0.43
GAK O14976 1/20 0.43
PDGFRB P09619 1/20 0.43
FLT3 P36888 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MARK1 Q9P0L2 1/20 0.43
STK17A Q9UEE5 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
AXL P30530 1/20 0.42
KEAP1 Q14145 1/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL69243 0.87 RAB9A (0.50) EGLN1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL29114944 0.84 ALDH1A1 (0.53) RAB9AHDAC6TP53L3MBTL1LMNA
SCHEMBL70800 0.79 RAB9A (0.55) RAB9AAPPKITGAKPDGFRB
SCHEMBL71764 0.78 EGLN3 (0.49) EGLN1RAB9AHDAC6SMN1; SMN2
SCHEMBL29114987 0.78 SMN1; SMN2 (0.50) RAB9ATP53NPC1MAPK1LMNA
SCHEMBL29114996 0.78 SMN1; SMN2 (0.53) RAB9ANPC1MAPK1LMNAHTT
SCHEMBL29115107 0.75 KMT2A (0.56) TP53MAPK1L3MBTL1LMNAHTT
SCHEMBL71292 0.75 HDAC6 (0.71) RAB9AHDAC6TP53NPC1MAPK1
SCHEMBL1221861 0.75 ALOX15 (0.49) EGLN1RAB9ATP53NPC1MAPK1
SCHEMBL8366709 0.74 RAB9A (0.57) RAB9AAPPKITGAKPDGFRB

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 4 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-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 (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 EGLN1 448/4885RAB9A 3858/4885APP 2403/4885

“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.