SCHEMBL2651771

SCHEMBL2651771

O=C(O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])cc1)n2Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.44
TDP1 Q9NUW8 1/20 0.44
GIPR P48546 1/20 0.42
PPARG P37231 2/20 0.42
PIN1 Q13526 2/20 0.42
DRD2 P14416 1/20 0.41
TBXA2R P21731 1/20 0.41
RORC P51449 1/20 0.40
RIPK2 O43353 1/20 0.40
NLRP3 Q96P20 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
RHEB Q15382 1/20 0.40

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
SCHEMBL2652219 0.82 GCGR (0.50) GCGRGIPRPPARGDRD2TBXA2R
SCHEMBL7113992 0.80 SMN1; SMN2 (0.43) GCGRPPARG
SCHEMBL2652185 0.78 GCGR (0.60) GCGRGIPR
SCHEMBL9256074 0.78 ITGB3 (0.54) PPARGDRD2TBXA2RRORC
SCHEMBL2655339 0.77 HDAC1 (0.46) GCGRPPARGDRD2TBXA2RRIPK2
Hydrochloric Acid SCHEMBL9254502 0.77 ITGB3 (0.53) PPARGDRD2TBXA2RRORC
SCHEMBL9251467 0.77 JAK2 (0.49) GCGRPPARGDRD2TBXA2RRORC
SCHEMBL9255552 0.77 RHEB (0.48) PPARGRORCRHEB
SCHEMBL2651979 0.76 MAPT (0.55) GCGRTDP1PPARGDRD2TBXA2R
SCHEMBL2651226 0.74 THRB (0.54) TDP1PPARGDRD2TBXA2R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212119-A1 Novel glucagon receptor antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-11-13 US disclosed
WO-2003053938-A1 BENZIMIDAZOLS AND INDOLS AS GLUCAGON RECEPTOR ANTAGONISTS/INVERSE AGONISTEN NOVO NORDISK A/S (DK) 2003-07-03 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 (1 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-20030212119-A1 Novel glucagon receptor antagonists/inverse agonists GLP1R, GCGR, GIPR GCGR 2/4885TDP1 4805/4885GIPR 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.