SCHEMBL370992

SCHEMBL370992

COc1ccc(Cn2cc(-c3nc(NC(=O)OC(C)(C)C)sc3C(C)O)c(C=O)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ACHE P22303 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
LCK P06239 4/20 0.34
SCD O00767 1/20 0.34
CSNK1D P48730 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM1A O60341 1/20 0.33
CACNA1H O95180 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL6837466 0.91 LCK (0.36) LMNAMAPTHDAC3HDAC8NCOR2
SCHEMBL6837254 0.90 LMNA (0.36) LMNAMAPTHDAC3HDAC8NCOR2
SCHEMBL369206 0.88 GSK3B (0.40) LMNAMAPTHDAC3HDAC8NCOR2
SCHEMBL370192 0.85 MAPT (0.35) LMNAMAPTHDAC3HDAC8NCOR2
SCHEMBL370267 0.81 GSK3A (0.39) LMNAMAPTHDAC3HDAC8NCOR2
SCHEMBL6837241 0.81 LMNA (0.35) LMNAMAPTHDAC3HDAC8NCOR2
SCHEMBL370868 0.80 MKNK2 (0.35) LMNAMAPTHDAC3HDAC8NCOR2
SCHEMBL369361 0.80 HDAC3 (0.36) LMNAMAPTHDAC3HDAC8NCOR2
SCHEMBL371073 0.80 MAPT (0.34) LMNAMAPTHDAC3HDAC8NCOR2
SCHEMBL6837270 0.79 LCK (0.38) LMNAMAPTHDAC3HDAC8NCOR2

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-20130252944-A1 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. 2013-09-26 US disclosed
EP-2593277-A2 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2013-05-22 EP disclosed
WO-2012009000-A2 NOVEL FUSED PYRAZOLE 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-20130252944-A1 NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 LMNA 4688/4885MAPT 1266/4885HDAC3 520/4885

“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.