SCHEMBL1963158

SCHEMBL1963158

CCOC(=O)c1cccc(Nc2ccc(C3CCCCC3)cc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
KMT2A Q03164 2/20 0.43
CASP3 P42574 4/20 0.42
CDC25B P30305 3/20 0.42
MAPK1 P28482 1/20 0.42
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL1962948 0.85 ACMSD (0.46) KMT2AALDH1A1POLB
SCHEMBL1963500 0.83 ATM (0.55) TDP1KMT2ACASP3CDC25BCDC25A
SCHEMBL15178352 0.82 KMT2A (0.41) TDP1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL1963156 0.82 MAPT (0.48) KMT2AALDH1A1ATMPOLBSMN1; SMN2
SCHEMBL1964221 0.80 ALDH1A1 (0.53) KMT2ACDC25BMAPK1CDC25ACDC25C
SCHEMBL1962425 0.79 MAPT (0.48) KMT2ACDC25BMAPK1CDC25ACDC25C
SCHEMBL1962162 0.79 CDC25B (0.46) TDP1KMT2ACDC25BMAPK1CDC25A
SCHEMBL1964167 0.79 DHODH (0.48) TDP1KMT2ACDC25BMAPK1CDC25A
SCHEMBL1963131 0.77 DHODH (0.52) TDP1KMT2ACASP3CDC25BCDC25A
SCHEMBL10175495 0.76 FABP4 (0.58) TDP1KMT2AALDH1A1

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
EP-1919892-B1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2013-08-14 EP disclosed
US-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
EP-1919892-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-05-14 EP disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 WO disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 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 (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-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SI, CYP3A5, CYP2D6 TDP1 632/4885KMT2A 4292/4885CASP3 530/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 TDP1 632/4885KMT2A 4292/4885CASP3 530/4885

“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.