SCHEMBL2419953

SCHEMBL2419953

COc1ccc(Oc2ccc(Cl)cc2C=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
LMNA P02545 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
ERN1 O75460 6/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.44
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2A6 P11509 1/20 0.43
GAA P10253 2/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL13815379 0.84 CYP1A2 (0.44) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL12437522 0.84 PDE7A (0.56) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL19563733 0.84 EPAS1 (0.49) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL22809674 0.84 SCN8A (0.47) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL23418697 0.83 LMNA (0.62) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL30933708 0.83 LMNA (0.62) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL276032 0.83 SLC6A4 (0.57) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL275853 0.83 KMT2A (0.48) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL95806 0.83 ERN1 (0.58) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL29956352 0.83 ERN1 (0.58) ALDH1A1LMNACYP1A2CYP2C9CYP2C19

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
EP-2235017-B1 SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2011-09-14 EP disclosed
EP-2235017-A1 SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
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-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-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
WO-2009080488-A1 SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO 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-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-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 ALDH1A1 463/4885LMNA 927/4885CYP1A2 811/4885

“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.