SCHEMBL2895033

SCHEMBL2895033

Cc1ccc(F)c(-n2nnc(C(O)C(O)c3ccccc3)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
LMNA P02545 3/20 0.35
NPC1 O15118 3/20 0.35
RXRA P19793 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
KDM4E B2RXH2 4/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2889722 0.86 GAA (0.35) LMNAKDM4EADRA2AADRA2CHIF1A
SCHEMBL2889384 0.82 RXRA (0.36) RAB9ALMNANPC1RXRAGRIN1
SCHEMBL5740390 0.71 LMNA (0.34) RAB9ALMNANPC1RXRAGRIN1
SCHEMBL2895684 0.71 PKM (0.43) LMNAHIF1ACYP3A4CYP2D6ALDH1A1
SCHEMBL2895280 0.71 RXRA (0.40) RAB9ALMNANPC1RXRAGRIN1
SCHEMBL2895652 0.70 NFE2L2 (0.38) RAB9ALMNANPC1RXRAGRIN1
SCHEMBL2895653 0.70 NFE2L2 (0.38) RAB9ALMNANPC1RXRAGRIN1
SCHEMBL2889889 0.69 KCNH2 (0.33) KCNH2SMN1; SMN2
SCHEMBL2892918 0.68 GRM5 (0.34) LMNAKDM4EADRA2AADRA2CHIF1A
SCHEMBL5740464 0.68 RXRA (0.38) RAB9ALMNANPC1RXRAGRIN1

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 6 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
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 (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 RAB9A 2917/4885LMNA 4488/4885NPC1 2544/4885
US-20070197549-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 RAB9A 2910/4885LMNA 4515/4885NPC1 2696/4885

“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.