SCHEMBL4091935

SCHEMBL4091935

O=C=Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 4/20 0.43
ACHE P22303 2/20 0.40
ALDH1A1 P00352 5/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL2663360 0.78 ALDH1A1 (0.41) ACHEALDH1A1HSD17B10CYP3A4KDM4E
SCHEMBL2663600 0.74 KDM4E (0.43) ALDH1A1CASP1CASP7HSD17B10KDM4E
SCHEMBL4093992 0.74 ALDH1A1 (0.63) CYP1B1ACHEALDH1A1CASP1CASP7
SCHEMBL2663601 0.74 CYP1B1 (0.48) CYP1B1ACHEALDH1A1CASP1CASP7
SCHEMBL4484872 0.74 CYP1B1 (0.48) CYP1B1ACHEALDH1A1CASP1CASP7
SCHEMBL2665682 0.74 CHRM2 (0.49) CYP1B1ACHEALDH1A1CASP1CASP7
SCHEMBL7583645 0.72 CYP1B1 (0.47) CYP1B1ACHEALDH1A1CYP3A4KDM4E
SCHEMBL7583648 0.72 CYP1B1 (0.47) CYP1B1ACHEALDH1A1CYP3A4KDM4E
SCHEMBL1581709 0.72 CYP1B1 (0.59) CYP1B1ACHEALDH1A1CYP3A4KDM4E
SCHEMBL10491309 0.71 POLB (0.63) ALDH1A1HPGDGAATSHRSMN1; SMN2

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
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-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 CYP1B1 2200/4885ACHE 3981/4885ALDH1A1 3968/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR CYP1B1 2200/4885ACHE 3981/4885ALDH1A1 3968/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CYP1B1 2200/4885ACHE 3981/4885ALDH1A1 3968/4885

“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.