SCHEMBL584863

SCHEMBL584863

N#Cc1ccc2c(c1C=O)OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HTR2A P28223 1/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
AOC3 Q16853 2/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
BAD Q92934 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL9348922 0.82 HSP90AA1 (0.39) ALDH1A1HSD17B10HSP90AA1HSP90AB1HTR2A
SCHEMBL22578884 0.75 AOC3 (0.39) ALDH1A1HSD17B10HSP90AA1HSP90AB1HTR2A
SCHEMBL31738478 0.75 AOC3 (0.39) ALDH1A1HSD17B10TDP1HSP90AA1HSP90AB1
SCHEMBL13755150 0.75 HTR2A (0.40) ALDH1A1HSD17B10TDP1HSP90AA1HSP90AB1
SCHEMBL1579496 0.74 TDP1 (0.46) ALDH1A1HSD17B10TDP1TXNRD1TXNRD3
SCHEMBL31321109 0.74 HTR2A (0.34) ALDH1A1HSD17B10TDP1HTR2ANPC1
SCHEMBL2210040 0.73 AOC3 (0.51) ALDH1A1HSD17B10TDP1HSP90AA1HSP90AB1
SCHEMBL863397 0.73 AOC3 (0.51) ALDH1A1HSD17B10TDP1TXNRD1TXNRD3
SCHEMBL22589288 0.73 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1HSP90AA1HSP90AB1
SCHEMBL881447 0.73 NQO2 (0.45) ALDH1A1HSD17B10TDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 US disclosed
EP-2416879-A1 CYCLIC IMIDATE LIGANDS Universiteit Gent (BE) 2012-02-15 EP disclosed
WO-2010115903-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2010-10-14 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-20120077989-A1 CYCLIC IMIDATE LIGANDS IDH2, CYCS, NAPRT ALDH1A1 4283/4885HSD17B10 3869/4885TDP1 3931/4885

“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.