SCHEMBL13974201

SCHEMBL13974201

Cc1coc(-c2ccc(CCl)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.44
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
ENPP3 O14638 2/20 0.36
ENPP1 P22413 2/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
PDE4B Q07343 5/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
ADORA1 P30542 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL14051498 0.82 AOC3 (0.47) AOC3HDAC1HDAC8HDAC6ENPP3
SCHEMBL2056286 0.79 PDE4B (0.50) AOC3HDAC1HDAC8HDAC6PDE4B
SCHEMBL8836113 0.79 HDAC1 (0.53) AOC3HDAC1HDAC8HDAC6ENPP3
SCHEMBL31375555 0.78 CES1 (0.34) AOC3HDAC1HDAC8HDAC6DRD2
SCHEMBL28331877 0.77 HSD11B1 (0.47) KMT2A
SCHEMBL3085910 0.76 PDE4B (0.51) AOC3HDAC1HDAC8HDAC6ENPP3
SCHEMBL5540418 0.76 PDE4B (0.50) AOC3HDAC1HDAC8HDAC6PDE4B
SCHEMBL5310580 0.76 ACHE (0.56) AOC3HDAC1HDAC8HDAC6ENPP3
SCHEMBL6639205 0.76 HDAC1 (0.51) AOC3HDAC1HDAC8HDAC6ENPP3
SCHEMBL3951956 0.75 ENPP3 (0.53) AOC3HDAC1HDAC8HDAC6ENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 AOC3 135/4885HDAC1 1951/4885HDAC8 2412/4885

“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.