SCHEMBL2653992

SCHEMBL2653992

COC(=O)c1ccc(NCc2ccc(C3=CCCCC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.61
CA2 P00918 5/20 0.61
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HKDC1 Q2TB90 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
POLB P06746 1/20 0.44
HIF1A Q16665 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
AGTR1 P30556 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX5 P09917 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
SCHEMBL2643601 1.00 CA1 (0.61) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL2944680 0.87 ALDH1A1 (0.48) CA1CA2ALDH1A1MAPTMEN1
SCHEMBL2950950 0.85 ALDH1A1 (0.47) CA1CA2ALDH1A1MAPTMEN1
SCHEMBL2949298 0.85 ALDH1A1 (0.47) CA1CA2ALDH1A1MAPTMEN1
SCHEMBL2949295 0.85 ALDH1A1 (0.47) CA1CA2ALDH1A1MAPTMEN1
SCHEMBL26090324 0.82 CA1 (0.48) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL2649311 0.82 GCGR (0.47) CA1CA2ALDH1A1RAB9ANPC1
SCHEMBL13934091 0.82 CA1 (0.87) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL12003042 0.80 HIF1A (0.58) CA1CA2ALDH1A1LMNAKMT2A
SCHEMBL5401793 0.78 ALDH1A1 (0.44) CA1CA2ALDH1A1MAPTHPGD

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 CA1 4212/4885CA2 3563/4885ALDH1A1 4823/4885

“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.