SCHEMBL6842033

SCHEMBL6842033

COCN1c2cc(CN3CCCC(CN4C(=O)c5ccccc5C4O)C3)ccc2Sc2nccnc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 5/20 0.36
HPGD P15428 1/20 0.34
CD274 Q9NZQ7 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAOB P27338 3/20 0.32
ACHE P22303 2/20 0.32
BCHE P06276 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6857064 0.82 MAPT (0.43) ICAM1CD274MAOBHTTMAOA
SCHEMBL6855592 0.77 ICAM1 (0.41) ICAM1HDAC6
SCHEMBL6745537 0.75 HDAC6 (0.45) HDAC6POLBTP53
SCHEMBL6745786 0.71 HDAC6 (0.30) HDAC6
SCHEMBL6749298 0.69 ICAM1 (0.57) ICAM1HDAC6
SCHEMBL6751894 0.68 HDAC6 (0.35) ICAM1HDAC6
SCHEMBL6749064 0.68 HDAC6 (0.41) ICAM1HDAC6POLB
SCHEMBL6748083 0.68 HDAC6 (0.39) ICAM1HDAC6
SCHEMBL6749664 0.68 HDAC6 (0.38) ICAM1HDAC6
SCHEMBL6747454 0.68 HDAC6 (0.43) ICAM1HPGDHDAC6HTTL3MBTL1

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-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 ICAM1 412/4885HPGD 592/4885CD274 427/4885

“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.