SCHEMBL4516183

SCHEMBL4516183

CC(=O)NCC(C)c1ccc2nc(Oc3ccc(Oc4ccc(OC(C)C)cc4)cc3)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.46
ACACA Q13085 10/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4519215 0.99 ACACB (0.47) ACACBACACANPC1RAB9ACYP2C9
SCHEMBL2622434 0.91 ACACB (0.43) ACACBACACANPC1RAB9A
SCHEMBL4519186 0.91 NPC1 (0.52) ACACBACACANPC1RAB9AMAPT
SCHEMBL2622438 0.90 ACACB (0.39) ACACBACACACYP2C9MEN1ALDH1A1
SCHEMBL4790440 0.89 ACACB (0.41) ACACBNPC1RAB9AMEN1ALDH1A1
SCHEMBL4525186 0.87 NPC1 (0.50) ACACBACACANPC1RAB9AMAPT
SCHEMBL4520509 0.86 NPC1 (0.44) ACACBNPC1RAB9A
SCHEMBL4514304 0.86 NPC1 (0.47) NPC1RAB9AMEN1ALDH1A1MAPT
SCHEMBL4511372 0.85 NPC1 (0.44) NPC1RAB9AMEN1ALDH1A1LMNA
SCHEMBL4521582 0.84 NPC1 (0.45) NPC1RAB9AMEN1ALDH1A1MAPT

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 12 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
US-20070219258-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES 2007-09-20 US 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 ACACB 2/4885ACACA 1/4885NPC1 771/4885
US-20090048298-A1 Novel acetyl-CoA Carboxylase (ACC) Inhibitors and their use in Diabetes, Obesity and Metabolic Syndrome ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885NPC1 771/4885

“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.