SCHEMBL2653721

SCHEMBL2653721

O=C1NC(=O)c2cc1ccc2[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
CYP3A4 P08684 1/20 0.49
CHEK1 O14757 6/20 0.45
MAOA P21397 3/20 0.41
TDP2 O95551 3/20 0.41
MAOB P27338 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CES1 P23141 1/20 0.40
GSK3B P49841 2/20 0.38

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
SCHEMBL772678 0.76 CYP3A4 (0.59) TDP1CYP3A4MAOATDP2MAOB
SCHEMBL17529463 0.71 NPSR1 (0.49) TDP1CYP3A4CHEK1MAOATDP2
SCHEMBL3870583 0.69 TDP1 (0.52) TDP1CYP3A4MAOAMAOBMEN1
Formic Acid SCHEMBL11149679 0.69 MAPT (0.47) TDP1CYP3A4MEN1KMT2APOLB
SCHEMBL9503458 0.69 CYP3A4 (0.51) TDP1CYP3A4CHEK1MAOATDP2
SCHEMBL9453357 0.68 SMN1; SMN2 (0.51) TDP1CYP3A4CHEK1MAOAMAOB
SCHEMBL17742439 0.68 TDP1 (0.66) TDP1CYP3A4MEN1KMT2APOLB
Acetic Acid SCHEMBL3824249 0.68 TSHR (0.47) TDP1CYP3A4MEN1KMT2APOLB
SCHEMBL24414604 0.68 MAOA (0.50) TDP1CYP3A4MAOAMAOBMEN1
SCHEMBL787009 0.68 TDP1 (0.50) TDP1CYP3A4MAOAMAOBMEN1

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 TDP1 3350/4885CYP3A4 3264/4885CHEK1 4000/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR TDP1 3350/4885CYP3A4 3264/4885CHEK1 4000/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR TDP1 3350/4885CYP3A4 3264/4885CHEK1 4000/4885

“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.