SCHEMBL370553

SCHEMBL370553

COc1ccc(Cn2cc(-c3nc(NC(=O)OC(C)(C)C)sc3C(C)=O)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
SCD O00767 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL370566 0.90 HDAC3 (0.46) HDAC3HDAC8NCOR2L3MBTL1KMT2A
SCHEMBL369622 0.88 GSK3A (0.48) L3MBTL1GSK3AGSK3BMEN1KMT2A
SCHEMBL370276 0.82 MAPT (0.49) HDAC3HDAC8NCOR2L3MBTL1MEN1
SCHEMBL369851 0.82 GSK3A (0.40) HDAC3HDAC8NCOR2L3MBTL1GSK3A
SCHEMBL369206 0.82 GSK3B (0.40) HDAC3HDAC8NCOR2GSK3AGSK3B
SCHEMBL370267 0.80 GSK3A (0.39) HDAC3HDAC8NCOR2GSK3AGSK3B
SCHEMBL369300 0.80 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ARAB9APOLB
SCHEMBL15182838 0.80 GSK3B (0.49) GSK3BKMT2ALMNARAB9ANPSR1
SCHEMBL6837480 0.79 RXFP1 (0.42) HDAC3HDAC8NCOR2GSK3AGSK3B
SCHEMBL370888 0.79 L3MBTL1 (0.46) L3MBTL1GSK3AGSK3BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2013-08-15 US disclosed
EP-2595986-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-29 EP disclosed
WO-2012009009-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 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-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM4, GRM1 HDAC3 957/4885HDAC8 1634/4885NCOR2 285/4885

“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.