SCHEMBL7839404

SCHEMBL7839404

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 3/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 3/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2A6 P11509 1/20 0.31
MPO P05164 1/20 0.31
NPFFR1 Q9GZQ6 1/20 0.31
NPFFR2 Q9Y5X5 1/20 0.31
IDO1 P14902 1/20 0.31
LMNA P02545 1/20 0.30
PLA2G1B P04054 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
SCHEMBL13929107 0.87 HPGD (0.35) ALDH1A1CASP1CASP7HPGDTSHR
SCHEMBL7839894 0.86 HPGD (0.35) ALDH1A1CASP1CASP7HPGDTSHR
SCHEMBL8043508 0.85 LMNA (0.41) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL279006 0.84 HPGD (0.34) ALDH1A1CASP1CASP7HPGDTSHR
SCHEMBL7841968 0.83 KMT2A (0.42) ALDH1A1HPGDTSHRCYP3A4KDM4E
SCHEMBL7737189 0.83 MAPT (0.33) POLBMAPTMPO
SCHEMBL13929174 0.83
SCHEMBL7729669 0.80 HPGD (0.33) ALDH1A1HPGDTSHRKMT2AMEN1
SCHEMBL2803312 0.79 L3MBTL1 (0.40) ALDH1A1HPGDTSHRKDM4EPOLB
SCHEMBL2803314 0.79 L3MBTL1 (0.40) ALDH1A1HPGDTSHRKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776875-B2 such as 2'S,3S,4'R)-6-chloro-4'-{5-chloro-2-[1-methyl-1-(1-methyl-piperidin-4-ylcarbamoyl)-ethoxy]-phenyl}-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione, used as antiproliferative agents, especially, as anticarcinogenic agents HOFFMAN-LA ROCHE INC. (US) 2010-08-17 US disclosed
US-20090163512-A1 such as 2'S,3S,4'R)-6-chloro-4'-{5-chloro-2-[1-methyl-1-(1-methyl-piperidin-4-ylcarbamoyl)-ethoxy]-phenyl}-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione, used as antiproliferative agents, especially, as anticarcinogenic agents CHEN LI 2009-06-25 US disclosed
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-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-20090163512-A1 such as 2'S,3S,4'R)-6-chloro-4'-{5-chloro-2-[1-methyl-1-(1-methyl-piperidin-4-ylcarbamoyl)-ethoxy]-phenyl}-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione, used as antiproliferative agents, especially, as anticarcinogenic agents TOP2B, TOP2A, CCNY ALDH1A1 463/4885CASP1 643/4885CASP7 42/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS ALDH1A1 156/4885CASP1 955/4885CASP7 36/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 ALDH1A1 65/4885CASP1 1159/4885CASP7 72/4885

“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.