SCHEMBL7841968

SCHEMBL7841968

C=C(/N=C/c1cc(Cl)ccc1OC)O[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 2/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ERN1 O75460 2/20 0.38
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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 0.85 HPGD (0.35) KMT2AMAPTHPGDTSHRKDM4E
SCHEMBL8043283 0.84 ERN1 (0.38) KMT2AMAPTKDM4EGAAMEN1
SCHEMBL275642 0.84 HPGD (0.40) KMT2AMAPTHPGDTSHRMEN1
SCHEMBL278953 0.84 HPGD (0.40) KMT2AMAPTHPGDTSHRMEN1
SCHEMBL7839404 0.83 ALDH1A1 (0.36) KMT2AMAPTHPGDTSHRKDM4E
SCHEMBL7839894 0.83 HPGD (0.35) KMT2AMAPTHPGDTSHRKDM4E
SCHEMBL279006 0.82 HPGD (0.34) KMT2AMAPTHPGDTSHRKDM4E
SCHEMBL274631 0.82 HPGD (0.36) HPGDTSHR
SCHEMBL279490 0.82 HPGD (0.36) HPGDTSHR
SCHEMBL278931 0.81 CHEK1 (0.38) HPGDTSHRSTAT3

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KMT2A 416/4885MAPT 4856/4885HPGD 2910/4885

“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.