SCHEMBL6414458

SCHEMBL6414458

CC(C)(C)OC(=O)NCCc1cccc(CCCN)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.49
SIGMAR1 Q99720 3/20 0.49
CA1 P00915 3/20 0.49
NQO2 P16083 1/20 0.49
NAMPT P43490 1/20 0.48
POLB P06746 1/20 0.46
IDO1 P14902 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GLS O94925 3/20 0.45
CTSK P43235 1/20 0.45
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL27832827 0.89 NQO2 (0.51) CA2SIGMAR1CA1NQO2NAMPT
SCHEMBL30048842 0.89 CA2 (0.59) CA2SIGMAR1CA1NQO2NAMPT
SCHEMBL9985225 0.85 NQO2 (0.52) CA2SIGMAR1CA1NQO2NAMPT
SCHEMBL1718277 0.84 NQO2 (0.51) CA2SIGMAR1CA1NQO2NAMPT
SCHEMBL731698 0.83 CA2 (0.51) CA2CA1NQO2NAMPTPOLB
SCHEMBL731697 0.83 CA2 (0.51) CA2CA1NQO2NAMPTPOLB
SCHEMBL6414451 0.83 CA2 (0.51) CA2CA1NQO2NAMPTPOLB
SCHEMBL16798316 0.83 NQO2 (0.50) CA2SIGMAR1CA1NQO2NAMPT
SCHEMBL732230 0.83 NQO2 (0.50) CA2SIGMAR1CA1NQO2NAMPT
SCHEMBL14987233 0.83 GLS (0.50) CA2SIGMAR1CA1NQO2NAMPT

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-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 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-20050288502-A1 Substituted heterocyclic compounds and methods of use MYLK2, IAPP, MAPT CA2 2117/4885SIGMAR1 4223/4885CA1 1563/4885

“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.