SCHEMBL6406367

SCHEMBL6406367

COc1ccc2[nH]c(=O)n(N)c(=O)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.74
ALDH1A1 P00352 10/20 0.56
HPGD P15428 6/20 0.56
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 6/20 0.56
HSD17B10 Q99714 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
TSHR P16473 1/20 0.56
GFER P55789 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.51
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
HAVCR2 Q8TDQ0 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL6242205 0.85 GAA (1.00) GAAALDH1A1HPGDTP53HTT
SCHEMBL9923022 0.83 ALDH1A1 (0.58) GAAALDH1A1HPGDTP53HTT
SCHEMBL31393249 0.79 ALDH1A1 (0.53) GAAALDH1A1HPGDTP53HTT
SCHEMBL10085593 0.79 ALDH1A1 (0.72) GAAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6400493 0.77 CA12 (0.68) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL6401721 0.76 CA9 (0.66) GAAALDH1A1HPGDHTTKDM4E
SCHEMBL6401713 0.76 ALDH1A1 (0.59) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL17522756 0.75 MAPT (0.53) GAAALDH1A1HPGDTP53KDM4E
SCHEMBL12285521 0.74 ABCG2 (0.83) GAAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2597652 0.73 ALDH1A1 (1.00) GAAALDH1A1HPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US claimed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP claimed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 GAA 1100/4885ALDH1A1 408/4885HPGD 460/4885

“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.