SCHEMBL2647647

SCHEMBL2647647

COC(=O)c1ccc(NCc2ccc3c(c2)Cc2ccccc2-3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
HIF1A Q16665 2/20 0.50
CYP19A1 P11511 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
ADRA2A P08913 1/20 0.49
MAOA P21397 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR2B P41595 1/20 0.49
AGTR1 P30556 1/20 0.49
ALOX5 P09917 1/20 0.48

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
SCHEMBL6135766 0.93 CA1 (0.60) CA1CA2ALDH1A1MAPTKDM4E
SCHEMBL4918684 0.80 SRD5A2 (0.66) ALDH1A1MAPTKDM4EHPGDRAB9A
SCHEMBL2658814 0.80 GCG (0.53) ALDH1A1MAPTKDM4EHPGDCYP1A2
SCHEMBL2654558 0.79 MAPT (0.49) ALDH1A1MAPTKDM4EHPGDRAB9A
SCHEMBL22524482 0.78 TRPA1 (0.57) ALDH1A1MAPTKDM4EHPGDRAB9A
SCHEMBL13934091 0.77 CA1 (0.87) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL6120695 0.76 CA1 (0.88) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL18415526 0.76 CA1 (1.00) CA1CA2ALDH1A1MAPTHPGD
Fluorene SCHEMBL2708609 0.76 TSHR (0.68) ALDH1A1MAPTKDM4EHPGDRAB9A
Fluorene SCHEMBL27412062 0.76 TSHR (0.68) ALDH1A1MAPTKDM4EHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256175-A1 Novel glucagon antagonists/inverse agonists LAU JESPER 2005-11-17 US disclosed
US-6881746-B2 Glucagon antagonists/inverse agonists NOVO NORDICK A/S (DK) 2005-04-19 US disclosed
EP-1519723-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2005-04-06 EP disclosed
US-20040014789-A1 Novel glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2004-01-22 US disclosed
WO-2004002480-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2004-01-08 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 (2 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-20040014789-A1 Novel glucagon antagonists/inverse agonists GLP1R, GCGR, GIPR CA1 4178/4885CA2 3299/4885ALDH1A1 4836/4885
US-20050256175-A1 Novel glucagon antagonists/inverse agonists GLP1R, GCGR, GIPR CA1 4178/4885CA2 3299/4885ALDH1A1 4836/4885

“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.