SCHEMBL1964172

SCHEMBL1964172

COC(=O)c1cccc(Nc2ccc(OCCN(C)C)cc2OC(C)C)c1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.47
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
EGFR P00533 3/20 0.43
BTK Q06187 3/20 0.43
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CDK6 Q00534 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
KDR P35968 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GAK O14976 1/20 0.38
ERBB2 P04626 1/20 0.38
JAK1 P23458 1/20 0.38
TTK P33981 1/20 0.38
TXK P42681 1/20 0.38
BLK P51451 1/20 0.38

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) KDM4EALDH1A1EGFRBTKCDK4
SCHEMBL1962083 0.86 CACNA1B (0.46) KDM4EALDH1A1CHRNB2CHRNA4RXFP1
SCHEMBL1964177 0.86 BRPF1 (0.43) BRPF1KDM4EALDH1A1EGFRBTK
SCHEMBL1963245 0.86 RXFP1 (0.41) KDM4EALDH1A1KDRRXFP1
SCHEMBL1961731 0.85 KDR (0.45) KDM4EALDH1A1KDRRXFP1HRH3
SCHEMBL1964231 0.80 HRH3 (0.52) KDM4EALDH1A1CDK4CCND1KDR
SCHEMBL1964675 0.77 CDC25B (0.46) KDM4EALDH1A1EGFRBTKCDK4
SCHEMBL1963476 0.74 MAPT (0.54) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1962084 0.74 MEN1 (0.46) KDM4EALDH1A1CHRNB2CHRNA4LMNA
SCHEMBL1963248 0.74 CDC25B (0.44) KDM4EALDH1A1LMNASMN1; SMN2MEN1

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 12 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
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 BRPF1 4275/4885KDM4E 1501/4885ALDH1A1 1081/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 BRPF1 4275/4885KDM4E 1501/4885ALDH1A1 1081/4885

“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.