SCHEMBL8043508

SCHEMBL8043508

C=C(/N=C/c1cc(C)ccc1C)O[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ALOX12 P18054 2/20 0.36
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DHODH Q02127 1/20 0.32
AMY1A P0DUB6 1/20 0.32
HPGD P15428 1/20 0.30

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
SCHEMBL13929174 0.85
SCHEMBL7737189 0.85 MAPT (0.33) PTGS1PTGS2MAPTPOLB
SCHEMBL7839404 0.85 ALDH1A1 (0.36) LMNAALDH1A1NPSR1KDM4EMAPT
SCHEMBL2803312 0.81 L3MBTL1 (0.40) LMNAALDH1A1GAAKDM4EMAPT
SCHEMBL2803314 0.81 L3MBTL1 (0.40) LMNAALDH1A1GAAKDM4EMAPT
SCHEMBL13092326 0.80 ALDH1A1 (0.30) LMNAALDH1A1NPSR1MAPTHPGD
SCHEMBL278990 0.78 LMNA (0.39) LMNAALDH1A1ALOX12KDM4EMAPT
SCHEMBL8048676 0.76 NPC1 (0.50) LMNAALDH1A1GAAALOX5PTGS1
SCHEMBL8043209 0.76 TRPA1 (0.32) LMNAALDH1A1KDM4EMAPTHTT
SCHEMBL13929072 0.75 SMN1; SMN2 (0.36) LMNAALDH1A1KDM4EMAPTHTT

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 LMNA 2147/4885ALDH1A1 156/4885GAA 4105/4885
US-20080188506-A1 SPIROINDOLINONE DERIVATIVES MKI67, MCL1, BAD LMNA 1778/4885ALDH1A1 56/4885GAA 2524/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 LMNA 2188/4885ALDH1A1 65/4885GAA 2739/4885

“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.