SCHEMBL371073

SCHEMBL371073

C=CC(O)c1nn(Cc2ccc(OC)cc2)cc1-c1nc(NC(=O)OC(C)(C)C)sc1C=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
CFTR P13569 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
ACHE P22303 1/20 0.33
CACNA1H O95180 2/20 0.33
SCD O00767 1/20 0.33
LCK P06239 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM1A O60341 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL370192 0.92 MAPT (0.35) MAPTLMNAHDAC3HDAC8NCOR2
SCHEMBL370868 0.90 MKNK2 (0.35) MAPTLMNAHDAC3HDAC8NCOR2
SCHEMBL369361 0.84 HDAC3 (0.36) MAPTLMNACFTRHDAC3HDAC8
SCHEMBL6837114 0.82 MKNK2 (0.42) MAPTLMNAHDAC3HDAC8NCOR2
SCHEMBL6837254 0.81 LMNA (0.36) MAPTLMNAHDAC3HDAC8NCOR2
SCHEMBL370267 0.80 GSK3A (0.39) MAPTLMNAHDAC3HDAC8NCOR2
SCHEMBL6837241 0.80 LMNA (0.35) MAPTLMNAHDAC3HDAC8NCOR2
SCHEMBL370992 0.80 LMNA (0.36) MAPTLMNAHDAC3HDAC8NCOR2
SCHEMBL369206 0.79 GSK3B (0.40) MAPTLMNAHDAC3HDAC8NCOR2
SCHEMBL6837466 0.77 LCK (0.36) MAPTLMNAHDAC3HDAC8NCOR2

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 MAPT 1266/4885LMNA 4688/4885CFTR 1535/4885

“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.