SCHEMBL21572846

SCHEMBL21572846

COc1ccc(COc2cnc3oc(-c4ccc(C(N)=O)nc4)nc3c2)nc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.50
PDE10A Q9Y233 1/20 0.40
IKBKB O14920 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
DYRK1A Q13627 2/20 0.38
HPGDS O60760 1/20 0.37
PTGER4 P35408 1/20 0.37
GRM2 Q14416 1/20 0.36

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
SCHEMBL17553795 0.92 APP (0.41) APPDYRK1APTGER4
SCHEMBL17544215 0.92 APP (0.41) APPDYRK1APTGER4
SCHEMBL30401661 0.91 DYRK1A (0.48) APPDYRK1APTGER4
SCHEMBL17544093 0.91 DYRK1A (0.48) APPDYRK1APTGER4
Hydrochloric Acid SCHEMBL17544187 0.91 APP (0.40) APPDYRK1APTGER4
SCHEMBL17544482 0.90 MAPT (0.41) APPPDE10ADYRK1AHPGDS
SCHEMBL24465551 0.89 APP (0.39) APPDYRK1APTGER4
SCHEMBL17543901 0.80 SMN1; SMN2 (0.46)
SCHEMBL30402527 0.79 HDAC6 (0.48) APP
SCHEMBL17544324 0.79 HDAC6 (0.48) APP

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-10479802-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2019-11-19 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-10479802-B2 Probes for imaging huntingtin protein HTT, HYPK, FABP7 APP 229/4885PDE10A 3443/4885IKBKB 3163/4885

“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.