SCHEMBL23975248

SCHEMBL23975248

CN(CCCNC(=O)C1CCCCC1)CCCNC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.54
CXCR4 P61073 2/20 0.47
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CHRM1 P11229 1/20 0.43
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.41
CYP2D6 P10635 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NAMPT P43490 1/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL23975371 1.00 NAAA (0.54) NAAACXCR4KEAP1NFE2L2SIGMAR1
SCHEMBL21842323 0.85 NAAA (0.68) NAAACXCR4KEAP1NFE2L2SIGMAR1
SCHEMBL23975246 0.85 NAAA (0.68) NAAACXCR4KEAP1NFE2L2SIGMAR1
SCHEMBL23975372 0.85 NAAA (0.68) NAAACXCR4KEAP1NFE2L2SIGMAR1
SCHEMBL21842361 0.83 NAAA (0.65) NAAACXCR4KEAP1NFE2L2SIGMAR1
SCHEMBL21842296 0.83 NAAA (0.65) NAAACXCR4KEAP1NFE2L2SIGMAR1
SCHEMBL21974696 0.76 LMNA (0.66) NAAAKEAP1NFE2L2EPHX1LMNA
SCHEMBL7260975 0.75 NAAA (0.57) NAAAKEAP1NFE2L2EPHX1KMT2A
SCHEMBL20794256 0.74 NAAA (0.66) NAAAKEAP1NFE2L2EPHX1KMT2A
SCHEMBL15426780 0.74 NAAA (0.66) NAAAKEAP1NFE2L2EPHX1KMT2A

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-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-04 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-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN HAVCR2, CUL4A, PSMC3 NAAA 914/4885CXCR4 3228/4885KEAP1 194/4885

“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.