SCHEMBL21141014

SCHEMBL21141014

CNc1ccc(/C=C/c2nc3cc(OCCF)ccc3s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 17/20 0.57
ATP4A P20648 3/20 0.51
ATP4B P51164 3/20 0.51
MAPT P10636 1/20 0.47
SNCA P37840 1/20 0.47

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
SCHEMBL21141285 0.95 APP (0.66) APPATP4AATP4BMAPTSNCA
SCHEMBL21140920 0.88 ATP4A (0.47) APPATP4AATP4B
SCHEMBL21140910 0.81 ATP4A (0.49) APPATP4AATP4B
SCHEMBL21140914 0.80 APP (0.62) APPATP4AATP4B
SCHEMBL21141286 0.80 APP (0.53) APPATP4AATP4B
SCHEMBL21140958 0.80 APP (0.63) APPMAPTSNCA
SCHEMBL12973263 0.78 APP (0.83) APPMAPTSNCA
SCHEMBL11303203 0.78 APP (0.83) APPMAPTSNCA
SCHEMBL17953951 0.76 INSR (0.67) APPATP4AATP4BMAPT
SCHEMBL989597 0.74 APP (0.54) 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.