SCHEMBL29540761

SCHEMBL29540761

C[Si](C)(C)CCOCn1cc(C=O)c2c([N+](=O)[O-])cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ HTR2A P28223 5/20 0.33
▸ HTR6 P50406 5/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ TEK Q02763 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
SCHEMBL29541893 0.83 CNR2 (0.39) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL23538115 0.77 POLB (0.52) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL23855046 0.76 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL23123661 0.75 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL25173418 0.73 NPC1 (0.32) ALDH1A1LMNACNR2SLC5A2NPC1
SCHEMBL15032969 0.72 MAPT (0.37) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL14981605 0.72 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL30079489 0.72 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KMT2AMEN1ERN1
SCHEMBL4718604 0.71 TDP1 (0.37) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL15122465 0.71 FGFR1 (0.48) ALDH1A1SMN1; SMN2LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-10-22 — — US disclosed
US-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-04-14 — — 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-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 ALDH1A1 1856/4885SMN1; SMN2 1691/4885LMNA 4165/4885
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction KEAP1, NFE2L2, HMOX1 ALDH1A1 1856/4885SMN1; SMN2 1691/4885LMNA 4165/4885

“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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