SCHEMBL4091863

SCHEMBL4091863

CCCCc1ccc(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
KMT2A Q03164 9/20 0.43
MEN1 O00255 8/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ABCG2 Q9UNQ0 3/20 0.43
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL4081057 0.89 MEN1 (0.55) GCGRCA12CA1CA9KMT2A
SCHEMBL4081372 0.87 TRPV1 (0.54) GCGRNPC1RAB9AHDAC6HDAC1
SCHEMBL4086790 0.85 DCUN1D1 (0.42) GCGRDCUN1D1HDAC6HDAC1TRPV1
SCHEMBL4085611 0.85 KDM4E (0.43) GCGRNPC1RAB9AHDAC6HDAC1
SCHEMBL9072666 0.85 GCGR (0.55) GCGRKMT2AMEN1MAPT
SCHEMBL4091875 0.84 GCGR (0.70) GCGRCA12CA1CA9KMT2A
SCHEMBL4096168 0.84 GCGR (0.52) GCGRCA12CA1CA9KMT2A
SCHEMBL4091869 0.82 ABCG2 (0.46) CA12CA1CA9KMT2AMEN1
SCHEMBL2663227 0.79 GCGR (0.64) GCGR
SCHEMBL4092347 0.77 GCGR (0.51) GCGR

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 6 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-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

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-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR GCGR 3/4885CA12 4759/4885CA1 4464/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GCGR 3/4885CA12 4759/4885CA1 4464/4885

“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.