SCHEMBL2652311

SCHEMBL2652311

COc1cc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
PPARG P37231 3/20 0.47
GCGR P47871 4/20 0.46
KDM4E B2RXH2 1/20 0.45
GIPR P48546 1/20 0.43
GPR52 Q9Y2T5 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
SCD O00767 1/20 0.42
MRGPRX4 Q96LA9 1/20 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 0.88 GCGR (0.48) HDAC1HDAC8GCGRGIPREGLN1
SCHEMBL2655339 0.84 HDAC1 (0.46) HDAC1HDAC8PPARGGCGREGLN1
SCHEMBL2651576 0.82 EGLN1 (0.48) PPARGGCGRGPR52EGLN1
SCHEMBL7116449 0.82 GCGR (0.50) PPARGGCGRGIPRGPR52EGLN1
SCHEMBL2653039 0.79 MRGPRX1 (0.51) PPARGGCGRGPR52EGLN1
SCHEMBL2651098 0.79 KDM4E (0.46) PPARGGCGRKDM4EGIPR
SCHEMBL2652296 0.76 PPARG (0.49) PPARGGCGREGLN1
SCHEMBL2652504 0.75 KDM4E (0.43) PPARGGCGRKDM4EGIPREGLN1
SCHEMBL2655061 0.74 PTGDR2 (0.46) PPARGKDM4E
SCHEMBL2661618 0.74 DRD4 (0.47) PPARGEGLN1

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 2464/4885PPARG 122/4885

“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.