SCHEMBL23624902

SCHEMBL23624902

COCCOCCOCCOCCN1C(=O)c2cccc3c(N)ccc(c23)C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 6/20 0.62
▸ NFE2L2 Q16236 6/20 0.62
▸ TLR9 Q9NR96 1/20 0.62
▸ USP2 O75604 8/20 0.61
▸ KMT2A Q03164 8/20 0.61
▸ MEN1 O00255 7/20 0.61
▸ ATM Q13315 3/20 0.61
▸ CYP1B1 Q16678 3/20 0.61
▸ HTR1A P08908 4/20 0.56
▸ MAPT P10636 5/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ THRB P10828 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ APAF1 O14727 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HTT P42858 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RGS12 O14924 3/20 0.46

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
SCHEMBL19872904 0.92 USP2 (0.68) KEAP1NFE2L2TLR9USP2KMT2A
SCHEMBL22099930 0.89 KEAP1 (0.60) KEAP1NFE2L2TLR9USP2KMT2A
SCHEMBL12660523 0.87 KEAP1 (0.61) KEAP1NFE2L2TLR9USP2KMT2A
SCHEMBL16085240 0.86 KEAP1 (0.60) KEAP1NFE2L2TLR9USP2KMT2A
SCHEMBL14329995 0.86 KEAP1 (0.57) KEAP1NFE2L2TLR9USP2KMT2A
SCHEMBL23624808 0.85 KMT2A (0.54) KEAP1NFE2L2TLR9USP2KMT2A
SCHEMBL20385847 0.85 KEAP1 (0.61) KEAP1NFE2L2TLR9USP2KMT2A
SCHEMBL22361783 0.81 HEXA (0.56) CYP1B1HTR1AMAPTKDM4EALDH1A1
SCHEMBL23625037 0.81 MEN1 (0.62) TLR9KMT2AMEN1MAPTKDM4E
SCHEMBL9437193 0.80 KMT2A (0.78) KEAP1NFE2L2TLR9USP2KMT2A

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-20210205461-A1 Rapidly Released Bioorthogonal Caging Groups UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-07-08 — — 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-20210205461-A1 Rapidly Released Bioorthogonal Caging Groups CBR3, CBR1, CNOT9 KEAP1 1501/4885NFE2L2 3278/4885TLR9 168/4885

“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.

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