SCHEMBL2653392

SCHEMBL2653392

COc1cc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2Cc2ccc(OC(F)(F)F)cc2)ccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.48
EGLN1 Q9GZT9 1/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
GIPR P48546 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46
IDH1 O75874 2/20 0.44

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
SCHEMBL2652311 0.88 HDAC1 (0.47) GCGREGLN1HDAC1HDAC8GIPR
SCHEMBL2655339 0.85 HDAC1 (0.46) GCGREGLN1HDAC1HDAC8
SCHEMBL2651211 0.82 GCGR (0.56) GCGREGLN1GIPRCYP3A4CYP2C8
SCHEMBL2652327 0.78 PTGER4 (0.49) GCGREGLN1GIPRCYP3A4CYP2C8
SCHEMBL2652185 0.78 GCGR (0.60) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL7116449 0.77 GCGR (0.50) GCGREGLN1GIPRIDH1
SCHEMBL2652304 0.76 GCGR (0.50) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2665495 0.76 GCGR (0.47) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2654491 0.74 NAMPT (0.51) GCGRHDAC1HDAC8CYP3A4CYP2C9
SCHEMBL4989051 0.74 TP53 (0.52)

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 2/4885EGLN1 2105/4885HDAC1 3760/4885

“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.