SCHEMBL1962084

SCHEMBL1962084

CCOC(=O)c1cccc(Nc2ccc(OCCN(C)C)cc2Oc2ccccc2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CACNA1H O95180 2/20 0.43
CACNA1B Q00975 2/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
LMNA P02545 1/20 0.41
CDC25B P30305 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ESR1 P03372 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL1964675 0.91 CDC25B (0.46) MEN1KMT2ASMN1; SMN2CACNA1BHPGD
SCHEMBL1964177 0.89 BRPF1 (0.43) MEN1KMT2ASMN1; SMN2HPGDKDM4E
SCHEMBL1963248 0.87 CDC25B (0.44) MEN1KMT2ASMN1; SMN2HPGDKDM4E
SCHEMBL1962083 0.87 CACNA1B (0.46) MEN1KMT2ASMN1; SMN2CACNA1HCACNA1B
SCHEMBL1961738 0.86 CDC25B (0.45) MEN1KMT2ASMN1; SMN2CACNA1HCACNA1B
SCHEMBL1964931 0.86 CDC25B (0.50) MEN1KMT2ASMN1; SMN2CACNA1BHPGD
SCHEMBL1964234 0.83 HRH3 (0.50) MEN1KMT2ASMN1; SMN2HPGDKDM4E
SCHEMBL1961546 0.82 CDC25B (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL1963479 0.78 CDC25B (0.54) KMT2ASMN1; SMN2CACNA1BHPGDKDM4E
SCHEMBL1964674 0.77 KDR (0.44) SMN1; SMN2CACNA1BHPGDKDM4EALDH1A1

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 MEN1 907/4885KMT2A 4292/4885SMN1; SMN2 1271/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 MEN1 907/4885KMT2A 4292/4885SMN1; 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.