SCHEMBL13030896

SCHEMBL13030896

CNCC[n+]1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.48
▸ CHKA P35790 1/20 0.42
▸ MAPT P10636 1/20 0.36
▸ TERT O14746 1/20 0.34
▸ BCHE P06276 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL13982630 0.79 HTT (0.47) HTTCHKAMAPTTERTBCHE
SCHEMBL15865970 0.79 HTT (0.47) HTTCHKAMAPTTERTBCHE
SCHEMBL21290572 0.79 HTT (0.61) HTTCHKAMAPTBCHEACHE
SCHEMBL12533280 0.74 HTT (0.77) HTTCHKAMAPTBCHEACHE
SCHEMBL18234751 0.74 HTT (0.70) HTTCHKAMAPTBCHEACHE
Iodide SCHEMBL1932275 0.72 HTT (0.74) HTTMAPTBCHEACHEKDM4E
SCHEMBL12533274 0.72 HTT (0.82) HTTCHKAMAPTBCHEACHE
SCHEMBL13990105 0.72 HTT (0.54) HTTCHKABCHEACHEKDM4E
SCHEMBL2863713 0.72 HTT (0.67) HTTCHKAMAPTBCHEACHE
SCHEMBL4403595 0.72 HTT (0.82) HTTCHKAMAPTBCHEACHE

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-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 — — 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-20100279340-A1 Imaging agents for protein misfolding APBA1, APP, SPG11 HTT 6/4885CHKA 2868/4885MAPT 4/4885

“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.

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