SCHEMBL4081318

SCHEMBL4081318

O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)NC(c1ccc(C(=O)Nc2nn[nH]n2)cc1)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MCL1 Q07820 1/20 0.46
MMP13 P45452 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
PDE4B Q07343 1/20 0.43
SCD O00767 2/20 0.42
DYRK1A Q13627 1/20 0.42
CXCR2 P25025 1/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 1/20 0.41
GCGR P47871 1/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
ACP1 P24666 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
SCHEMBL4091745 0.88 CLK1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4095325 0.87 NPC1 (0.51) NPC1RAB9ASCDKMT2AMAPT
SCHEMBL4097373 0.85 GCGR (0.51) NPC1RAB9ADYRK1AMAPTGCGR
SCHEMBL4091878 0.83 RAB9A (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4081309 0.82 GCGR (0.51) NPC1RAB9AMCL1MMP13SMN1; SMN2
SCHEMBL4086925 0.78 GCGR (0.41) GCGRLMNA
SCHEMBL4086665 0.77 GCGR (0.44) GCGRLMNA
SCHEMBL4081953 0.76 GCGR (0.49) GCGRLMNA
SCHEMBL4091987 0.76 GCGR (0.44) GCGRLMNA
SCHEMBL4086859 0.75 GCGR (0.43) GCGRLMNA

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 NPC1 1959/4885RAB9A 2980/4885MCL1 1802/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR NPC1 1959/4885RAB9A 2980/4885MCL1 1802/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR NPC1 1959/4885RAB9A 2980/4885MCL1 1802/4885

“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.