SCHEMBL4628276

SCHEMBL4628276

COC(=O)c1ccc(OC)c(NC(=N)c2ccc(F)c(Cl)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 4/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 3/20 0.44
ACLY P53396 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL4627658 0.84 SMN1; SMN2 (0.49) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL4627827 0.81 PYGL (0.57) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL29986711 0.80 MAPT (0.68) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL365353 0.80 MAPT (0.68) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL1554111 0.80 HDAC1 (0.58) MEN1KMT2AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL1579963 0.79 HDAC1 (0.56) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4626798 0.79 CYP1A2 (0.50) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL13425100 0.76 MAPT (0.58) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL1554272 0.76 MAPT (0.54) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL1553365 0.76 ALDH1A1 (0.52) MEN1KMT2AMAPTHDAC1HDAC8

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 TAS1R3 4233/4885TAS1R1 4603/4885TAS1R2 4650/4885

“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.