SCHEMBL4848626

SCHEMBL4848626

COc1ccc(Oc2ncc(/C=N/O)s2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACACA Q13085 1/20 0.44
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DYRK1A Q13627 1/20 0.40
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SCN9A Q15858 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL4848644 1.00 ACACB (0.44) ACACBCYP2C9CYP2C19ACACAKDM4E
SCHEMBL4816080 0.87 ACACB (0.54) ACACBCYP2C9CYP2C19ACACA
SCHEMBL4816074 0.87 ACACB (0.54) ACACBCYP2C9CYP2C19ACACA
SCHEMBL5425471 0.86 ACACB (0.55) ACACBCYP2C9CYP2C19ACACA
SCHEMBL5425467 0.86 ACACB (0.55) ACACBCYP2C9CYP2C19ACACA
SCHEMBL5430067 0.84 ACACB (0.46) ACACBCYP2C9CYP2C19ACACADYRK1A
SCHEMBL5418518 0.82 LMNA (0.46) ACACBCYP2C9CYP2C19ACACAKMT2A
SCHEMBL5418512 0.82 LMNA (0.46) ACACBCYP2C9CYP2C19ACACAKMT2A
SCHEMBL4785249 0.80 ACACB (0.47) ACACBACACAKDM4EKMT2ADYRK1A
SCHEMBL4785252 0.80 ACACB (0.47) ACACBACACAKDM4EKMT2ADYRK1A

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-8748627-B2 Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBVIE INC. (US) 2014-06-10 US disclosed
EP-1999119-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME Abbott Laboratories (US) 2008-12-10 EP disclosed
US-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC. 2007-09-27 US disclosed
WO-2007095602-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 (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-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 ACACB 2/4885CYP2C9 779/4885CYP2C19 774/4885

“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.