SCHEMBL1963131

SCHEMBL1963131

CCOC(=O)c1cccc(Nc2ccc3c(c2)CCC3)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.52
RAB9A P51151 9/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 8/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
ATM Q13315 3/20 0.45
CDC25B P30305 4/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CDC25A P30304 1/20 0.42
CDC25C P30307 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
SCHEMBL1963619 0.85 KMT2A (0.54) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL1963127 0.82 NPC1 (0.49) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL1963500 0.81 ATM (0.55) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL1961864 0.81 CDC25B (0.53) DHODHRAB9AKMT2AATMCDC25B
SCHEMBL1961719 0.80 CTSV (0.55) MEN1KMT2ACDC25BTDP1ALDH1A1
SCHEMBL1961347 0.79 AKR1C3 (0.57) MEN1KMT2ANPC1CDC25BMAPT
SCHEMBL1964221 0.78 ALDH1A1 (0.53) DHODHRAB9AMEN1KMT2AL3MBTL1
SCHEMBL5624235 0.77 MAP2K2 (0.55) DHODHRAB9AMEN1KMT2AL3MBTL1
SCHEMBL1964589 0.77 CTSV (0.52) RAB9AMEN1KMT2ANPC1CDC25B
SCHEMBL1963158 0.77 TDP1 (0.44) KMT2AL3MBTL1CASP3ATMCDC25B

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 DHODH 482/4885RAB9A 914/4885MEN1 907/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 DHODH 482/4885RAB9A 914/4885MEN1 907/4885

“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.