SCHEMBL21140896

SCHEMBL21140896

CN(C)c1ncc(/C=C/c2nc3cc(OCCO[Si](C)(C)C(C)(C)C)ccc3s2)cn1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
ATP4A P20648 19/20 0.44
ATP4B P51164 19/20 0.44

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
SCHEMBL21140914 0.84 APP (0.62) APPATP4AATP4B
SCHEMBL21140950 0.81 ATP4A (0.49) APPATP4AATP4B
SCHEMBL21141048 0.77 ATP4A (0.47) APPATP4AATP4B
SCHEMBL21140953 0.74 APP (0.50) APPATP4AATP4B
SCHEMBL21140910 0.72 ATP4A (0.49) APPATP4AATP4B
SCHEMBL21140920 0.70 ATP4A (0.47) APPATP4AATP4B
SCHEMBL21141288 0.69 ATP4A (0.50) APPATP4AATP4B
SCHEMBL15602913 0.67 APP (0.69) APP
SCHEMBL10233638 0.66 CYP3A4 (0.61)
SCHEMBL21141014 0.65 APP (0.57) APPATP4AATP4B

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-10335504-B2 Heterocyclic molecules for biomedical imaging and therapeutic applications WASHINGTON UNIVERSITY (US) 2019-07-02 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-10335504-B2 Heterocyclic molecules for biomedical imaging and therapeutic applications APP, PSEN1, BACE1 APP 1/4885ATP4A 421/4885ATP4B 365/4885

“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.