SCHEMBL2897428

SCHEMBL2897428

Cc1cccc(-n2nnc(COS(C)(=O)=O)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
GRM5 P41594 2/20 0.39
RXRA P19793 8/20 0.38
GRIN1 Q05586 8/20 0.38
GRIN2B Q13224 8/20 0.38
HPGD P15428 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL5739060 0.88 MAPT (0.43) MAPTLMNATP53GRM5RXRA
SCHEMBL2895781 0.87 PKM (0.39) MAPTLMNAGRM5HPGDIDO1
SCHEMBL2889477 0.86 HPGD (0.36) MAPTLMNATP53GRM5HPGD
SCHEMBL2893419 0.83 GRM5 (0.46) MAPTGRM5ALDH1A1CA12CA1
SCHEMBL2895208 0.80 RXRA (0.35) MAPTLMNATP53GRM5RXRA
SCHEMBL2889329 0.78 GRM5 (0.45) MAPTLMNATP53GRM5RXRA
SCHEMBL2892992 0.78 RXRA (0.39) MAPTLMNATP53RXRAGRIN1
SCHEMBL2488353 0.76 GRM5 (0.41) MAPTLMNATP53GRM5RXRA
SCHEMBL5741959 0.75 PKM (0.38) MAPTLMNAGRM5HPGDALDH1A1
SCHEMBL2488620 0.74 TLR8 (0.43) MAPTLMNATP53GRM5RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716125-B1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US disclosed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US disclosed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 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 (3 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-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 MAPT 1115/4885LMNA 4488/4885TP53 4423/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 MAPT 711/4885LMNA 4566/4885TP53 4883/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 MAPT 1070/4885LMNA 4515/4885TP53 4440/4885

“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.