SCHEMBL2654474

SCHEMBL2654474

O=C(O)CCNC(=O)c1ccc(C(CC(=O)c2ccc(Br)cc2)C(=O)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.42
CYP2D6 P10635 1/20 0.42
GCGR P47871 4/20 0.41
USP5 P45974 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
KMT2A Q03164 1/20 0.41
BCL2L1 Q07817 2/20 0.40
MCL1 Q07820 2/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
EPHX2 P34913 1/20 0.38
CXCR4 P61073 1/20 0.38
PPARD Q03181 1/20 0.37

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
SCHEMBL2653731 0.95 HAO1 (0.46) HAO1CYP2D6GCGRHDAC8HDAC6
SCHEMBL2647125 0.91 CYP2D6 (0.45) HAO1CYP2D6GCGRUSP5BCL2L1
SCHEMBL2654247 0.90 LMNA (0.43) HAO1CYP2D6GCGRHDAC8HDAC6
SCHEMBL2647568 0.90 GCGR (0.45) HAO1CYP2D6GCGRAPAF1
SCHEMBL2660182 0.90 GCGR (0.45) HAO1CYP2D6GCGRAPAF1
SCHEMBL6917469 0.89 GCGR (0.43) HAO1CYP2D6GCGRHDAC8HDAC6
SCHEMBL6755406 0.89 GCGR (0.49) HAO1CYP2D6GCGRAPAF1
SCHEMBL6756859 0.89 GCGR (0.49) HAO1CYP2D6GCGRAPAF1
SCHEMBL2646694 0.89 GCGR (0.49) HAO1CYP2D6GCGRAPAF1
SCHEMBL2653410 0.88 CYP2D6 (0.44) HAO1CYP2D6GCGRBCL2L1MCL1

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-20040152750-A1 Novel glucagon antagonists NOVO NORDISK A/S (DK) 2004-08-05 US disclosed
WO-2004056763-A2 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-08 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-20040152750-A1 Novel glucagon antagonists GLP1R, GCGR, GIPR HAO1 3706/4885CYP2D6 4521/4885GCGR 2/4885

“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.