SCHEMBL2655339

SCHEMBL2655339

COc1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2Cc2cc(Cl)cc(Cl)c2)cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
SMPD1 P17405 4/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PTGER4 P35408 1/20 0.44
PPARG P37231 1/20 0.43
DRD2 P14416 1/20 0.43
TBXA2R P21731 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
GCGR P47871 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
RIPK2 O43353 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ENPP2 Q13822 1/20 0.42
TP53 P04637 2/20 0.42

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
SCHEMBL2653392 0.85 GCGR (0.48) HDAC1HDAC8EGLN1GCGR
SCHEMBL2652311 0.84 HDAC1 (0.47) HDAC1HDAC8PPARGEGLN1GCGR
SCHEMBL2652219 0.83 GCGR (0.50) PTGER4PPARGDRD2TBXA2RGCGR
SCHEMBL9256074 0.78 ITGB3 (0.54) PTGER4PPARGDRD2TBXA2REGLN1
SCHEMBL2651771 0.77 GCGR (0.44) PPARGDRD2TBXA2RGCGRRIPK2
SCHEMBL2652185 0.77 GCGR (0.60) GCGR
Hydrochloric Acid SCHEMBL9254502 0.77 ITGB3 (0.53) PTGER4PPARGDRD2TBXA2REGLN1
SCHEMBL2650795 0.74 PPARG (0.47) HDAC1HDAC6PPARGGCGRTP53
Hydrochloric Acid SCHEMBL9253317 0.74 PTGER4 (0.47) PTGER4PPARGDRD2TBXA2RTP53
SCHEMBL2651226 0.74 THRB (0.54) PPARGDRD2TBXA2REGLN1TP53

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 HDAC1 3760/4885HDAC8 2464/4885SMPD1 2566/4885

“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.