SCHEMBL1961839

SCHEMBL1961839

CCOC(=O)c1cccc(Nc2ccc(OCCN3CCCCC3)cc2OC)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
KDM4E B2RXH2 3/20 0.45
KDR P35968 2/20 0.44
TSHR P16473 1/20 0.44
MET P08581 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL1962517 0.99 KMT2A (0.46) KMT2AMEN1GAACACNA1FCACNA1D
SCHEMBL1964650 0.92 ALDH1A1 (0.48) KDM4ETSHRALDH1A1HRH3
SCHEMBL15163090 0.91 KMT2A (0.50) KMT2AMEN1GAAKDM4EKDR
SCHEMBL1961837 0.88 KMT2A (0.55) KMT2AMEN1GAAKDM4EKDR
SCHEMBL1962514 0.87 KMT2A (0.53) KMT2AMEN1GAAKDM4EKDR
SCHEMBL1963479 0.83 CDC25B (0.54) KMT2AGAAKDM4ETSHRALDH1A1
SCHEMBL1964675 0.83 CDC25B (0.46) KMT2AMEN1GAAKDM4EKDR
SCHEMBL1961738 0.82 CDC25B (0.45) KMT2AMEN1GAAKDM4EKDR
SCHEMBL14598477 0.81 KDM4E (0.48) KMT2AMEN1GAAKDM4EKDR
SCHEMBL1964681 0.81 PPARG (0.47) KDM4ETSHRALDH1A1

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 4 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
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 KMT2A 4292/4885MEN1 907/4885GAA 1338/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 KMT2A 4292/4885MEN1 907/4885GAA 1338/4885

“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.