SCHEMBL3024718

SCHEMBL3024718

C#CCN1C(=O)C(C)(C)NC(C)(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.36
AMY1A P0DUB6 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP19A1 P11511 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
PGR P06401 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8997602 0.82 POLB (0.61) POLBKMT2APDE4APDE4BPDE4C
SCHEMBL3022052 0.79 CYP19A1 (0.36) POLBAMY1AMAOAMAOBCYP19A1
SCHEMBL8674736 0.75 POLB (0.50) POLBKMT2APDE4APDE4BPDE4C
SCHEMBL13993295 0.73 AMY1A (0.38) AMY1AMAOAMAOBCYP19A1
SCHEMBL8997578 0.72 RAB9A (0.37) POLBAMY1AMAOAMAOBCYP19A1
SCHEMBL11447070 0.71 POLB (0.46) POLBKMT2APDE4APDE4BPDE4C
SCHEMBL11445763 0.70 POLB (0.45) POLBKMT2ALMNA
SCHEMBL11445778 0.70 POLB (0.45) POLBKMT2ALMNA
SCHEMBL11760694 0.69 POLB (0.33) POLBKMT2AAMY1AMAOAMAOB
SCHEMBL11157890 0.68 POLB (0.43) POLBKMT2APDE4APDE4BPDE4C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100181527-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES CIBA CORPORATION 2010-07-22 US disclosed
US-20100181527-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES CIBA CORPORATION 2010-07-22 US disclosed
US-20100181527-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES CIBA CORPORATION 2010-07-22 US disclosed
EP-2162937-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES BASF SE (DE) 2010-03-17 EP disclosed
WO-2008155247-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES BASF SE (CH) 2008-12-24 WO 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-20100181527-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES CAT, NQO1, NUCB2 POLB 98/4885KMT2A 688/4885AMY1A 3979/4885

“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.