SCHEMBL23625199

SCHEMBL23625199

N#CCCCOc1ccc2nc3ccc(=O)cc-3oc2c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.71
CYP1A2 P05177 1/20 0.67
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
P2RY12 Q9H244 2/20 0.47
CA12 O43570 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA9 Q16790 1/20 0.41
TLR7 Q9NYK1 2/20 0.38

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
SCHEMBL16069679 0.86 APP (0.81) APPCYP1A2CA12CA9TLR7
SCHEMBL16196000 0.85 APP (0.80) APPCYP1A2CA12CA9TLR7
SCHEMBL31492097 0.84 APP (0.78) APPCYP1A2CA12MAOAMAOB
SCHEMBL505449 0.84 APP (0.78) APPCYP1A2CA12MAOAMAOB
SCHEMBL10167874 0.83 APP (1.00) APPCYP1A2
SCHEMBL10167880 0.82 APP (1.00) APPCYP1A2TLR7
SCHEMBL10167882 0.81 APP (1.00) APPCYP1A2TLR7
Ethoxyresorufin SCHEMBL31079400 0.81 APP (1.00) APPCYP1A2CA12CA9
Ethoxyresorufin SCHEMBL104497 0.81 APP (1.00) APPCYP1A2CA12CA9
SCHEMBL30278760 0.80 APP (0.72) APPCYP1A2CA12MAOAMAOB

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-20210205461-A1 Rapidly Released Bioorthogonal Caging Groups UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-07-08 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-20210205461-A1 Rapidly Released Bioorthogonal Caging Groups CBR3, CBR1, CNOT9 APP 4830/4885CYP1A2 2884/4885PDE3B 3479/4885

“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.