SCHEMBL2651634

SCHEMBL2651634

CCSc1cccc(N=C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
CYP3A4 P08684 3/20 0.40
TRPA1 O75762 1/20 0.40
PTGS2 P35354 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EPHX2 P34913 1/20 0.38
TSHR P16473 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SLC6A4 P31645 1/20 0.32
MAOA P21397 1/20 0.32
NOS3 P29474 4/20 0.31
NOS1 P29475 4/20 0.31
NOS2 P35228 4/20 0.31
CYP1A2 P05177 1/20 0.31
MAP1LC3B Q9GZQ8 1/20 0.30
MAP1LC3A Q9H492 1/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL11530319 0.83 MAPK1 (0.38) GABRA1GABRB2CYP3A4TRPA1MAPK1
SCHEMBL125319 0.80 CYP3A4 (0.43) GABRA1GABRB2CYP3A4TRPA1MAPK1
SCHEMBL29638353 0.80 CYP3A4 (0.43) GABRA1GABRB2CYP3A4TRPA1MAPK1
SCHEMBL31134964 0.80 MAPK1 (0.44) GABRA1GABRB2CYP3A4TRPA1MAPK1
SCHEMBL9315146 0.80 MAPK1 (0.44) GABRA1GABRB2CYP3A4TRPA1MAPK1
SCHEMBL8937136 0.80 MAPK1 (0.44) GABRA1GABRB2CYP3A4TRPA1MAPK1
SCHEMBL27445248 0.79 MAOA (0.46) CYP3A4TSHRSLC6A4MAOA
SCHEMBL9063136 0.79 APEX1 (0.55) MAPK1TDP1TSHRCYP1A2APEX1
SCHEMBL11285514 0.79 MAPK1 (0.35) GABRA1GABRB2CYP3A4TRPA1MAPK1
SCHEMBL9870683 0.78 CYP3A4 (0.50) GABRA1GABRB2CYP3A4TRPA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
EP-1183229-B1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK AS (DK) 2005-10-26 EP disclosed
US-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 US disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US disclosed
EP-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 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 (3 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-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GABRA1 273/4885GABRB2 277/4885CYP3A4 3264/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR GABRA1 273/4885GABRB2 277/4885CYP3A4 3264/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GABRA1 273/4885GABRB2 277/4885CYP3A4 3264/4885

“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.