SCHEMBL29541893

SCHEMBL29541893

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.39
▸ SLC5A2 P31639 1/20 0.37
▸ NPC1 O15118 3/20 0.35
▸ EGFR P00533 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ STAT1 P42224 1/20 0.32
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL29540761 0.83 ALDH1A1 (0.42) CNR2SLC5A2NPC1EGFRIGF1R
SCHEMBL29540719 0.76 MMP9 (0.49) ALDH1A1LMNAMEN1KMT2A
SCHEMBL23123661 0.75 ALDH1A1 (0.38) NPC1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL25173418 0.73 NPC1 (0.32) CNR2SLC5A2NPC1ALDH1A1LMNA
SCHEMBL29541498 0.73 GAA (0.42) CNR2SLC5A2ALDH1A1
SCHEMBL4718604 0.71 TDP1 (0.37) NPC1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL15122465 0.71 FGFR1 (0.48) NPC1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2884986 0.70 DGAT1 (0.36) NPC1ALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL25175972 0.69 ALDH1A1 (0.33) NPC1EGFRALDH1A1SMN1; SMN2LMNA
SCHEMBL7831021 0.69 UPP1 (0.51) EGFRIGF1RSRCFLT4KDR

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 CNR2 3493/4885SLC5A2 1826/4885NPC1 2758/4885
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction KEAP1, NFE2L2, HMOX1 CNR2 3493/4885SLC5A2 1826/4885NPC1 2758/4885

“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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