SCHEMBL220816

SCHEMBL220816

Bc1ccc(=O)n(Cc2ccc(CC)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.44
BRD4 O60885 2/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
HTT P42858 2/20 0.39
POLB P06746 2/20 0.39
FABP6 P51161 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL17232456 0.81 MAPT (0.51) MGLLBRD4BRD2BRD3BRDT
SCHEMBL22510482 0.81 POLB (0.50) MGLLBRD4BRD2BRD3BRDT
SCHEMBL147028 0.79 MGLL (0.44) MGLLBRD4BRD2BRD3BRDT
SCHEMBL25660301 0.79 MGLL (0.49) MGLLBRD4BRD2BRD3BRDT
SCHEMBL3401026 0.77 CREBBP (0.39) MGLLBRD4HTTPOLBSMN1; SMN2
SCHEMBL14410400 0.77 FABP6 (0.51) MGLLBRD4BRD2BRD3BRDT
SCHEMBL15807130 0.77 BRD4 (0.55) BRD4BRD2BRD3BRDTPOLB
SCHEMBL5439606 0.76 CREBBP (0.56) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL16891381 0.75 POLB (0.54) MGLLPOLBALDH1A1HDAC3HDAC4
SCHEMBL19159638 0.75 USP2 (0.43) MGLLBRD4BRD2BRD3BRDT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-10-11 US disclosed
US-8222219-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-07-17 US disclosed
US-8202984-B2 Glucopyranoside compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-19 US disclosed
US-20120058941-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-08 US disclosed
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-05 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-20120058941-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 MGLL 1690/4885BRD4 717/4885BRD2 867/4885
US-20110105424-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 MGLL 1690/4885BRD4 717/4885BRD2 867/4885
US-20120258913-A1 GLUCOPYRANOSIDE COMPOUND UGGT1, B3GAT3, FUT6 MGLL 1690/4885BRD4 717/4885BRD2 867/4885

“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.