SCHEMBL25920080

SCHEMBL25920080

CC(CN1C(=O)C(=O)c2ccccc21)CN1C(=O)C(=O)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.65
BCHE P06276 3/20 0.65
TGM2 P21980 2/20 0.65
ALDH1A1 P00352 6/20 0.57
AGTR1 P30556 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH3A1 P30838 4/20 0.57
ALDH2 P05091 3/20 0.57
CHRM1 P11229 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
CDC25A P30304 1/20 0.55
PARK7 Q99497 1/20 0.54
ACHE P22303 1/20 0.54
CES2 O00748 1/20 0.53

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
SCHEMBL12930202 0.89 CES1 (0.65) CES1BCHETGM2ALDH1A1AGTR1
SCHEMBL4625229 0.86 CES1 (0.61) CES1BCHETGM2ALDH1A1AGTR1
SCHEMBL10679097 0.83 CES1 (0.57) CES1BCHETGM2ALDH1A1AGTR1
SCHEMBL12930273 0.83 CES1 (0.61) CES1BCHETGM2ALDH1A1AGTR1
SCHEMBL8088024 0.82 CES1 (0.56) CES1BCHETGM2ALDH1A1AGTR1
SCHEMBL29649695 0.79 CES1 (0.71) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL5114051 0.79 CES1 (0.71) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL571882 0.79 CES1 (0.71) CES1BCHETGM2ALDH1A1ALDH3A1
SCHEMBL578329 0.79 CES1 (0.71) CES1BCHETGM2ALDH1A1AGTR1
SCHEMBL7612012 0.79 CES1 (0.56) CES1BCHETGM2ALDH1A1AGTR1

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-11715844-B2 Isatin derivative redoxmer for electrochemical device UCHICAGO ARGONNE, LLC (US) 2023-08-01 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-11715844-B2 Isatin derivative redoxmer for electrochemical device SQOR, SLC39A14, NDUFS5 CES1 4335/4885BCHE 622/4885TGM2 2662/4885

“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.