SCHEMBL4627652

SCHEMBL4627652

COC(=O)c1ccc(OC)c(N/C(=N\Cl)c2ccc(Cl)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PYGL P06737 1/20 0.47
CYP2C9 P11712 1/20 0.45
LMNA P02545 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
SCHEMBL4627655 1.00 HDAC8 (0.56) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL4627896 0.90 HDAC1 (0.54) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL4627898 0.90 HDAC1 (0.54) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL4628357 0.89 HDAC8 (0.60) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL4628354 0.89 HDAC8 (0.60) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL8320922 0.84 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTPYGL
SCHEMBL13425267 0.80 MAPT (0.52) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL15808412 0.78 CYP2C9 (0.49) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL1554526 0.77 KMT2A (0.48) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL1554527 0.77 KMT2A (0.48) 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.