SCHEMBL8041967

SCHEMBL8041967

C=C(/N=C/c1ccc(F)cc1F)O[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NFE2L2 Q16236 4/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
AMY1A P0DUB6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACHE P22303 2/20 0.32
BACE1 P56817 2/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL7840021 0.88 NFE2L2 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7737189 0.84 MAPT (0.33) POLBMAPTRAB9APTGS1PTGS2
SCHEMBL279428 0.84 MAPT (0.38) POLBMAPTRAB9A
SCHEMBL275415 0.84 MAPT (0.38) POLBMAPTRAB9A
SCHEMBL7840837 0.83 MAPT (0.34) POLBMAPTRAB9A
SCHEMBL13929148 0.83 AMY1A (0.31) POLBMAPTRAB9AAMY1A
SCHEMBL8043283 0.82 ERN1 (0.38) MAPTRAB9ANFE2L2KDM4ELMNA
SCHEMBL8031334 0.81 MYC (0.37)
SCHEMBL13092326 0.79 ALDH1A1 (0.30) MAPTLMNAALDH1A1
SCHEMBL279179 0.79 LMNA (0.44) MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-20080188506-A1 SPIROINDOLINONE DERIVATIVES DING QINGJIE 2008-08-07 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
WO-2007104664-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-20 WO disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 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 (3 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS GRIN2D 2682/4885GRIN3B 3594/4885GRIN1 2676/4885
US-20080188506-A1 SPIROINDOLINONE DERIVATIVES MKI67, MCL1, BAD GRIN2D 2326/4885GRIN3B 3504/4885GRIN1 2770/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 GRIN2D 2192/4885GRIN3B 3454/4885GRIN1 2786/4885

“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.