SCHEMBL4518562

SCHEMBL4518562

CC(=O)NC(C)c1ccc2nc(Oc3ccc(Oc4ccccc4)cc3)sc2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.58
ACACA Q13085 9/20 0.58
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47

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
SCHEMBL2622428 0.90 ACACB (0.48) ACACBACACACYP1A2CYP3A4CYP2D6
SCHEMBL4519186 0.84 NPC1 (0.52) ACACBACACACYP1A2CYP3A4CYP2D6
SCHEMBL4514258 0.83 SMN1; SMN2 (0.49) ACACBACACACYP1A2CYP3A4CYP2D6
SCHEMBL4513929 0.83 TDP1 (0.52) ACACBCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2622431 0.82 L3MBTL1 (0.55) ACACBCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL15252374 0.81 SMN1; SMN2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL4525186 0.81 NPC1 (0.50) ACACBACACACYP1A2CYP3A4CYP2D6
SCHEMBL18269847 0.80 SMN1; SMN2 (0.48) ACACBACACACYP1A2CYP3A4CYP2D6
SCHEMBL4512358 0.80 SMN1; SMN2 (0.52) ACACBCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2622427 0.79 TDP1 (0.46) ACACBACACACYP1A2CYP3A4CYP2D6

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
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
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
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
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

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 1/4885CYP1A2 706/4885
US-20090048298-A1 Novel acetyl-CoA Carboxylase (ACC) Inhibitors and their use in Diabetes, Obesity and Metabolic Syndrome ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885CYP1A2 706/4885

“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.