SCHEMBL2658862

SCHEMBL2658862

O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC1CC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.70
ALOX5 P09917 1/20 0.57
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
CA4 P22748 1/20 0.50
PTPRC P08575 1/20 0.47
S100A4 P26447 1/20 0.47
RPS6KA2 Q15349 1/20 0.47

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
SCHEMBL19834269 0.83 ACHE (0.55) ACHEALOX5CA12CA1CA2
SCHEMBL17433959 0.79 ACHE (0.48) ACHEALOX5CA12CA1CA2
SCHEMBL13486977 0.78 ALOX5 (0.62) ACHEALOX5CA12CA1CA2
SCHEMBL28639253 0.78 ALOX5 (0.62) ACHEALOX5CA12CA1CA2
SCHEMBL6956819 0.78 ALOX5 (0.62) ACHEALOX5CA12CA1CA2
SCHEMBL2210510 0.78 ALOX5 (0.62) ACHEALOX5CA12CA1CA2
SCHEMBL30070354 0.78 ALOX5 (0.62) ACHEALOX5CA12CA1CA2
SCHEMBL6207633 0.78 ALOX5 (0.62) ACHEALOX5CA12CA1CA2
SCHEMBL17434421 0.78 ACHE (0.47) ACHEALOX5CA12CA1CA2
SCHEMBL2653644 0.77 ACHE (0.67) ACHEALOX5CA12CA1CA2

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 8 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
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 ACHE 3981/4885ALOX5 4510/4885CA12 4759/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR ACHE 3981/4885ALOX5 4510/4885CA12 4759/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ACHE 3981/4885ALOX5 4510/4885CA12 4759/4885

“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.