SCHEMBL1424286

SCHEMBL1424286

CCN(CC)C(=O)c1c(CN(C)C(=O)OC(C)(C)C)cccc1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCRTR1 O43613 9/20 0.38
HCRTR2 O43614 9/20 0.38
TSHR P16473 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
RIPK1 Q13546 1/20 0.34
TP53 P04637 1/20 0.33
KEAP1 Q14145 1/20 0.33

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
SCHEMBL1424288 0.91 HCRTR1 (0.39) ALDH1A1LMNAMAPTHTTKDM4E
SCHEMBL1403500 0.88 LMNA (0.40) ALDH1A1LMNAMAPTHTTKDM4E
SCHEMBL14275285 0.84 ALDH1A1 (0.35) ALDH1A1LMNAMAPTHTTKDM4E
SCHEMBL1424499 0.81 HTR2C (0.38) ALDH1A1LMNAMAPTTSHRMAPK8
SCHEMBL1424973 0.79 KEAP1 (0.37) KDM4EHPGDHCRTR1HCRTR2TSHR
SCHEMBL1424508 0.77 TSHR (0.43) ALDH1A1LMNAMAPTHTTKDM4E
SCHEMBL1403561 0.75 HTR2C (0.40) L3MBTL1RIPK1
SCHEMBL1425133 0.74 KEAP1 (0.36) KDM4EHCRTR1HCRTR2TSHRRIPK1
SCHEMBL3107925 0.74 MAPK8 (0.39) ALDH1A1LMNAMAPTHTTKDM4E
SCHEMBL8017533 0.72 HTR2C (0.47) L3MBTL1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140113935-A1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2014-04-24 US disclosed
US-8648096-B2 N-methylaminomethyl isoindole compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2014-02-11 US disclosed
EP-2076260-B1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2011-03-23 EP disclosed
EP-2076260-A1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2009-07-08 EP disclosed
US-20080214615-A1 N-methylaminomethyl isoindole compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2008-09-04 US disclosed
WO-2008033567-A1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-03-20 WO 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 (2 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-20080214615-A1 N-methylaminomethyl isoindole compounds and compositions comprising and methods of using the same INMT, HNMT, TPMT ALDH1A1 1086/4885LMNA 996/4885MAPT 1012/4885
US-20140113935-A1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME INMT, HNMT, TPMT ALDH1A1 1086/4885LMNA 996/4885MAPT 1012/4885

“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.