SCHEMBL1962230

SCHEMBL1962230

COC(=O)c1cccc(Nc2ccc3c(c2)OCO3)c1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.53
NPC1 O15118 9/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
TP53 P04637 4/20 0.51
MAPT P10636 3/20 0.51
TSHR P16473 2/20 0.51
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
TOP1 P11387 1/20 0.49
PTGS2 P35354 1/20 0.49
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL1964145 0.81 MAPK9 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL15178350 0.78 MAPK9 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL1961862 0.77 MAPT (0.52) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL1961716 0.77 CTSV (0.53) RAB9ASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL1963498 0.76 MAPT (0.76) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
SCHEMBL1961346 0.76 AKR1C3 (0.59) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9709264 0.75 NPC1 (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL1964216 0.75 MAPT (0.56) RAB9ANPC1KDM4EALDH1A1KMT2A
SCHEMBL1920761 0.73 NPC1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL1095988 0.73 KMT2A (0.56) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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 14 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
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-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 US 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
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
CN-101291924-A Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORP (US) 2008-10-22 CN 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
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 US 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 RAB9A 914/4885NPC1 1007/4885SMN1; SMN2 1271/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 RAB9A 914/4885NPC1 1007/4885SMN1; SMN2 1271/4885

“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.