SCHEMBL1962083

SCHEMBL1962083

COC(=O)c1cccc(Nc2ccc(OCCN(C)C)cc2Oc2ccccc2)c1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.46
CACNA1H O95180 3/20 0.46
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LTA4H P09960 1/20 0.44
LMNA P02545 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
HSD17B10 Q99714 2/20 0.41
ESR1 P03372 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
TSHR P16473 1/20 0.39
MAPK10 P53779 1/20 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
SCHEMBL1964674 0.90 KDR (0.44) CACNA1BKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL1962084 0.87 MEN1 (0.46) CACNA1BCACNA1HKDM4EALDH1A1SMN1; SMN2
SCHEMBL1964172 0.86 BRPF1 (0.47) KDM4EALDH1A1SMN1; SMN2LMNACHRNB2
SCHEMBL1963245 0.86 RXFP1 (0.41) KDM4EALDH1A1HSD17B10RXFP1
SCHEMBL1961731 0.85 KDR (0.45) CACNA1BCACNA1HKDM4EALDH1A1SMN1; SMN2
SCHEMBL1964929 0.85 MEN1 (0.55) CACNA1BKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1964231 0.80 HRH3 (0.52) KDM4EALDH1A1SMN1; SMN2LTA4HLMNA
SCHEMBL1961543 0.80 HSD17B10 (0.51) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL1964675 0.79 CDC25B (0.46) CACNA1BKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL1963248 0.76 CDC25B (0.44) KDM4EALDH1A1SMN1; SMN2LMNAHSD17B10

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 13 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-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
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
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 CACNA1B 2931/4885CACNA1H 3695/4885KDM4E 1501/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 CACNA1B 2931/4885CACNA1H 3695/4885KDM4E 1501/4885

“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.