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Sugi Predict / Compounds / SCHEMBL12128227

SCHEMBL12128227

SCHEMBL12128227

CN(C(=O)OC(C)(C)C)C1CCc2c(c3ccc(Nc4ccc5c(c4)OCCO5)cc3n2C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ TAF1 P21675 1/20 0.35
▸ KDM4D Q6B0I6 1/20 0.34
▸ MAPT P10636 6/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ TP53 P04637 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33

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
SCHEMBL12128726 0.87 MAPT (0.36) KEAP1NFE2L2KDM4DMAPTNPC1
SCHEMBL12131953 0.86 MAPT (0.36) KEAP1NFE2L2KDM4DMAPTTP53
SCHEMBL12128235 0.85 APP (0.37) PTGDR2
SCHEMBL12128199 0.85 APP (0.35) KMT2AALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL12128533 0.84 MAPT (0.35) KEAP1NFE2L2KDM4DMAPTNPC1
SCHEMBL12128727 0.82 KDM4D (0.39) KEAP1NFE2L2KDM4DMAPTNPC1
SCHEMBL21088212 0.82 HTR6 (0.34) PTGDR2
SCHEMBL12128194 0.81 HTR1F (0.40) KEAP1NFE2L2KDM4DMAPTNPC1
SCHEMBL21089058 0.79 PTGDR2 (0.38) PTGDR2
SCHEMBL12127658 0.79 HTR6 (0.41) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 — — US disclosed
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 — — US disclosed
US-9221812-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2015-12-29 — — US disclosed
US-9221812-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2015-12-29 — — US disclosed
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 — — US disclosed
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 — — 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 (2 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-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 KEAP1 358/4885NFE2L2 807/4885TAF1 3932/4885
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 KEAP1 358/4885NFE2L2 807/4885TAF1 3932/4885

“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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