SCHEMBL22897342

SCHEMBL22897342

CC(C)CC(C)N(C)c1ccc(-c2nc3ccc(O)cc3s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 17/20 0.71
SULT1A1 P50225 4/20 0.54
MAPT P10636 2/20 0.54
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL21752044 0.84 APP (1.00) APPSULT1A1MAPTGLAGAA
SCHEMBL22009035 0.81 APP (0.67) APPSULT1A1MAPTTP53THRB
SCHEMBL13853555 0.81 APP (0.94) APPSULT1A1MAPTGLAGAA
SCHEMBL13096107 0.80 APP (0.65) APPSULT1A1MAPTTP53THRB
SCHEMBL13806297 0.79 APP (0.84) APPSULT1A1MAPTGLAGAA
SCHEMBL12421910 0.77 APP (0.85) APPSULT1A1MAPTGLAGAA
SCHEMBL29581521 0.77 APP (0.80) APPSULT1A1MAPTGLAGAA
SCHEMBL5423269 0.76 APP (0.81) APPSULT1A1MAPTGLAGAA
SCHEMBL13096109 0.75 APP (0.65) APPSULT1A1MAPTTP53THRB
SCHEMBL21754474 0.75 APP (0.61) APPSULT1A1MAPTTP53THRB

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-10894096-B2 3,6,9, 15-tetraaza-bicyclo [9.3.1]pentadeca-1(14), 11(15), 12-triene based compounds and their application as ligands of essential metal ion based MRI and 52MN based PET contrast agents DEBRECENI EGYETEM (HU) 2021-01-19 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-10894096-B2 3,6,9, 15-tetraaza-bicyclo [9.3.1]pentadeca-1(14), 11(15), 12-triene based compounds and their application as ligands of essential metal ion based MRI and 52MN based PET contrast agents SLC39A14, SLC39A11, TMEM14C APP 2972/4885SULT1A1 2120/4885MAPT 2189/4885

“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.