SCHEMBL1961950

SCHEMBL1961950

O=C(O)NCCCC(=O)NC(=O)c1cccc2c1CN(C1CCC(=O)NC1=O)C2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 14/20 0.48
AXL P30530 1/20 0.41
HDAC3 O15379 5/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC2 Q92769 5/20 0.38
NCOR2 Q9Y618 5/20 0.38
CSNK1A1 P48729 3/20 0.38
IKZF1 Q13422 1/20 0.38
DDB1 Q16531 3/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MIF P14174 1/20 0.35

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
SCHEMBL1961484 0.88 CRBN (0.51) CRBNAXLHDAC3HDAC1HDAC2
SCHEMBL1962436 0.88 CRBN (0.48) CRBNAXLHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL1964332 0.87 CRBN (0.50) CRBNAXLHDAC3HDAC1HDAC2
SCHEMBL1962646 0.87 CRBN (0.54) CRBNAXLHDAC3HDAC1CSNK1A1
SCHEMBL1962931 0.86 CRBN (0.53) CRBNAXLCSNK1A1IKZF1DDB1
Hydrochloric Acid SCHEMBL1963613 0.86 CRBN (0.53) CRBNAXLHDAC3HDAC1HDAC2
SCHEMBL1964606 0.86 CRBN (0.55) CRBNAXLCSNK1A1IKZF1DDB1
SCHEMBL1963480 0.86 CRBN (0.60) CRBNCSNK1A1IKZF1DDB1
SCHEMBL1963070 0.83 CRBN (0.55) CRBNCSNK1A1IKZF1DDB1
SCHEMBL1961287 0.82 CRBN (0.49) CRBNAXLCSNK1A1IKZF1DDB1

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
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US claimed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 US claimed
US-20140314752-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARMACEUTICALS, LLC (US) 2014-10-23 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-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 (3 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-20140314752-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY MTOR, ULK1, RICTOR CRBN 869/4885AXL 692/4885HDAC3 259/4885
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SI, CYP3A5, CYP2D6 CRBN 2589/4885AXL 2113/4885HDAC3 511/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 CRBN 2589/4885AXL 2113/4885HDAC3 511/4885

“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.