SCHEMBL370566

SCHEMBL370566

COc1ccc(Cn2cc(-c3nc(NC(=O)OC(C)(C)C)sc3Br)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
SCD O00767 1/20 0.41
CACNA1H O95180 1/20 0.40
ACHE P22303 1/20 0.39
POLQ O75417 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KLKB1 P03952 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
LCK P06239 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL370553 0.90 HDAC3 (0.43) HDAC3HDAC8NCOR2L3MBTL1SCD
SCHEMBL370888 0.89 L3MBTL1 (0.46) L3MBTL1ACHEPOLQMAPTKDM4E
SCHEMBL370276 0.83 MAPT (0.49) HDAC3HDAC8NCOR2L3MBTL1ACHE
SCHEMBL2282154 0.79 HDAC3 (0.44) HDAC3HDAC8NCOR2L3MBTL1SCD
SCHEMBL4876702 0.78 MAPT (0.49) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL15182839 0.78 GSK3B (0.51) LCK
SCHEMBL369622 0.77 GSK3A (0.48) L3MBTL1POLQMAPTKDM4ELMNA
SCHEMBL6837270 0.77 LCK (0.38) HDAC3HDAC8NCOR2CACNA1HACHE
SCHEMBL2510554 0.76 MEN1 (0.45) L3MBTL1POLQMAPTLMNAADORA2A
SCHEMBL6837466 0.74 LCK (0.36) HDAC3HDAC8NCOR2SCDCACNA1H

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.