SCHEMBL4627896

SCHEMBL4627896

COC(=O)c1ccc(OC)c(N/C(=N\Cl)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
MAPT P10636 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LTB4R Q15722 1/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
ACLY P53396 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL4627898 1.00 HDAC1 (0.54) HDAC1HDAC8HDAC6MAPTMEN1
SCHEMBL4627652 0.90 HDAC8 (0.56) HDAC1HDAC8HDAC6MAPTMEN1
SCHEMBL4627655 0.90 HDAC8 (0.56) HDAC1HDAC8HDAC6MAPTMEN1
SCHEMBL8320922 0.84 MEN1 (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1554111 0.83 HDAC1 (0.58) HDAC1HDAC8HDAC6MAPTMEN1
SCHEMBL4628354 0.82 HDAC8 (0.60) HDAC1HDAC8HDAC6MAPTMEN1
SCHEMBL4628357 0.82 HDAC8 (0.60) HDAC1HDAC8HDAC6MAPTMEN1
Hydrochloric Acid SCHEMBL1579963 0.82 HDAC1 (0.56) HDAC1HDAC8HDAC6MAPTMEN1
SCHEMBL13425267 0.80 MAPT (0.52) HDAC1HDAC8HDAC6MAPTMEN1
SCHEMBL28649485 0.79 MAPT (0.57) HDAC1HDAC8HDAC6MAPTMEN1

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 HDAC1 1451/4885HDAC8 1233/4885HDAC6 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.