SCHEMBL2895653

SCHEMBL2895653

Cc1ccc(F)c(-n2nnc(C=Cc3ccccc3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.38
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
PTGS2 P35354 3/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34

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
SCHEMBL2895652 1.00 NFE2L2 (0.38) NFE2L2CASP3SENP8SENP7SENP6
SCHEMBL2889986 0.86 NFE2L2 (0.37) NFE2L2CASP3SENP8SENP7SENP6
SCHEMBL2895031 0.80 RXRA (0.39) RXRAGRIN1GRIN2BLMNAKDM4E
SCHEMBL5751791 0.78 RXRA (0.36) NFE2L2CASP3SENP8SENP7SENP6
SCHEMBL2897293 0.77 GRM5 (0.46) CASP3SENP8SENP7SENP6HPGD
SCHEMBL2897290 0.77 GRM5 (0.46) CASP3SENP8SENP7SENP6HPGD
SCHEMBL2895033 0.70 RAB9A (0.35) RXRAGRIN1GRIN2BHPGDLMNA
SCHEMBL2889796 0.69 GRM5 (0.46) HPGDLMNAKDM4EALDH1A1NPC1
SCHEMBL2889795 0.69 GRM5 (0.46) HPGDLMNAKDM4EALDH1A1NPC1
SCHEMBL5740390 0.68 LMNA (0.34) RXRAGRIN1GRIN2BHPGDLMNA

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
CN-1918137-B Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2012-08-01 CN disclosed
CN-101845023-A Tetrazole compound and as the application of metabotropic glutamate receptor antagonists NPS PHARMA INC 2010-09-29 CN disclosed
US-7691892-B2 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2010-04-06 US disclosed
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-23 US disclosed
CN-1918137-A Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-21 CN 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 (2 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 NFE2L2 4467/4885CASP3 2743/4885SENP8 4049/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 NFE2L2 4533/4885CASP3 2838/4885SENP8 4089/4885

“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.