SCHEMBL4628357

SCHEMBL4628357

COC(=O)c1ccc(OC)c(NC(=NCl)c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.60
HDAC1 Q13547 4/20 0.60
HDAC6 Q9UBN7 4/20 0.60
PYGL P06737 5/20 0.56
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4628354 1.00 HDAC8 (0.60) HDAC8HDAC1HDAC6PYGLMEN1
SCHEMBL4627652 0.89 HDAC8 (0.56) HDAC8HDAC1HDAC6PYGLMEN1
SCHEMBL4627655 0.89 HDAC8 (0.56) HDAC8HDAC1HDAC6PYGLMEN1
SCHEMBL4627898 0.82 HDAC1 (0.54) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL4627896 0.82 HDAC1 (0.54) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL8320922 0.77 MEN1 (0.55) PYGLMEN1KMT2AALDH1A1MAPT
SCHEMBL6066354 0.76 MEN1 (0.59) HDAC8HDAC1HDAC6PYGLMEN1
SCHEMBL13425267 0.75 MAPT (0.52) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL4627827 0.75 PYGL (0.57) HDAC8HDAC1HDAC6PYGLMEN1
SCHEMBL15808412 0.73 CYP2C9 (0.49) HDAC8HDAC1HDAC6MEN1KMT2A

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
EP-1590333-A4 GLYCOGEN SYNTHASE KINASE 3BETA INHIBITOR, COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CRYSTALGENOMICS INC (KR) 2008-04-30 EP disclosed
US-7179832-B2 Glycogen synthase kinase 3β inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2007-02-20 US disclosed
US-20060079521-A1 Glycogen synthase kinase 3beta inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2006-04-13 US disclosed
EP-1590333-A1 GLYCOGEN SYNTHASE KINASE 3BETA INHIBITOR, COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF Crystalgenomics, Inc. (KR) 2005-11-02 EP disclosed
WO-2004065370-A1 GLYCOGEN SYNTHASE KINASE 3BETA INHIBITOR, COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CRYSTALGENOMICS, INC. (KR) 2004-08-05 WO 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 (1 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-20060079521-A1 Glycogen synthase kinase 3beta inhibitor, composition and process for the preparation thereof GSK3B, GSK3A, GYS2 HDAC8 1233/4885HDAC1 1451/4885HDAC6 1655/4885

“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.