SCHEMBL4521157

SCHEMBL4521157

CC(=O)NCC(C)c1ccc2nc(Oc3ccc4ncccc4c3)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 1/20 0.39
ACACB O00763 6/20 0.39
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
PLK1 P53350 1/20 0.37
EPHX2 P34913 2/20 0.37
SCN9A Q15858 2/20 0.37
ALOX5 P09917 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL4520509 0.91 NPC1 (0.44) NPC1RAB9AACACBEPHX2
SCHEMBL4508731 0.89 NPC1 (0.38) NPC1RAB9AACACBEPHX2
SCHEMBL4514304 0.87 NPC1 (0.47) ALDH1A1NPC1RAB9AMAPK1HTT
SCHEMBL4519186 0.85 NPC1 (0.52) NPC1RAB9AACACBHTTEPHX2
SCHEMBL4521582 0.85 NPC1 (0.45) ALDH1A1NPC1RAB9AMAPK1HTT
SCHEMBL15252425 0.84 MAPT (0.38) ALDH1A1
SCHEMBL4525186 0.84 NPC1 (0.50) NPC1RAB9AACACBHTTEPHX2
SCHEMBL2622434 0.84 ACACB (0.43) NPC1RAB9AACACBEPHX2
SCHEMBL4519215 0.84 ACACB (0.47) ALDH1A1NPC1RAB9AACACBHTT
SCHEMBL4790440 0.84 ACACB (0.41) ALDH1A1NPC1RAB9AACACBHTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996567-B1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC (US) 2013-09-18 EP claimed
US-8207350-B2 Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBOTT LABORATORIES (US) 2012-06-26 US claimed
US-20090048298-A1 Novel acetyl-CoA Carboxylase (ACC) Inhibitors and their use in Diabetes, Obesity and Metabolic Syndrome ABBOTT LABORATORIES (US) 2009-02-19 US claimed
EP-1996567-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2008-12-03 EP claimed
WO-2007095601-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 WO claimed
EP-1996567-B1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC (US) 2013-09-18 EP disclosed
US-8207350-B2 Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBOTT LABORATORIES (US) 2012-06-26 US disclosed
US-20090048298-A1 Novel acetyl-CoA Carboxylase (ACC) Inhibitors and their use in Diabetes, Obesity and Metabolic Syndrome ABBOTT LABORATORIES (US) 2009-02-19 US disclosed
EP-1996567-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2008-12-03 EP disclosed
US-20070219258-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES 2007-09-20 US disclosed
WO-2007095601-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 WO 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-20070219258-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 ALDH1A1 335/4885NPC1 771/4885RAB9A 3796/4885
US-20090048298-A1 Novel acetyl-CoA Carboxylase (ACC) Inhibitors and their use in Diabetes, Obesity and Metabolic Syndrome ACACA, ACACB, ACAT1 ALDH1A1 335/4885NPC1 771/4885RAB9A 3796/4885

“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.