SCHEMBL4091878

SCHEMBL4091878

O=C(Nc1cccc([N+](=O)[O-])c1)NC(c1ccc(C(=O)Nc2nn[nH]n2)cc1)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
GCGR P47871 3/20 0.44
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BAZ1A Q9NRL2 1/20 0.40
POLB P06746 2/20 0.39
DDX3X O00571 1/20 0.39
HTT P42858 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
NAMPT P43490 1/20 0.39
BLM P54132 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
SCHEMBL4087662 0.87 GCGR (0.46) GCGRLMNAALDH1A1SMN1; SMN2NAMPT
SCHEMBL4081953 0.87 GCGR (0.49) GCGRLMNANAMPT
SCHEMBL4091670 0.86 GCGR (0.43) GCGRLMNANAMPT
SCHEMBL4086482 0.86 GCGR (0.44) GCGRLMNAMEN1KMT2ANAMPT
SCHEMBL4091638 0.85 GCGR (0.44) GCGRRXFP1LMNANAMPT
SCHEMBL4085344 0.85 GCGR (0.46) GCGRRXFP1MAPTSMN1; SMN2
SCHEMBL4081849 0.85 GCGR (0.44) RAB9ANPC1GCGRRXFP1LMNA
SCHEMBL4081065 0.85 MEN1 (0.59) RAB9ANPC1GCGRLMNAMEN1
SCHEMBL4085646 0.85 GCGR (0.42) GCGRLMNANAMPT
SCHEMBL4085175 0.85 GCGR (0.43) GCGRLMNAMEN1KMT2AALDH1A1

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
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

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 RAB9A 2980/4885NPC1 1959/4885GCGR 3/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR RAB9A 2980/4885NPC1 1959/4885GCGR 3/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR RAB9A 2980/4885NPC1 1959/4885GCGR 3/4885

“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.