SCHEMBL9899771

SCHEMBL9899771

COCc1ccc(Cn2ncc([N+](=O)[O-])n2)s1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.31
DPP4 P27487 1/20 0.31
CYP1A2 P05177 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL9900044 0.82 MAPT (0.34) ALDH1A1MAPTKDM4EHPGD
SCHEMBL9900241 0.82 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EHPGD
SCHEMBL9900106 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EHTTTDP1L3MBTL1
SCHEMBL9900550 0.77 DPP4 (0.37) ALDH1A1KDM4EDPP4GRIN1GRIN2B
SCHEMBL2330962 0.76 KDM4E (0.32) ALDH1A1MAPTKDM4EHTTTDP1
SCHEMBL9899943 0.74 SCN9A (0.35) ALDH1A1MAPTKDM4E
SCHEMBL9900188 0.74 MAPT (0.31) ALDH1A1MAPTKDM4E
SCHEMBL9899898 0.74 FPR2 (0.38) ALDH1A1
SCHEMBL9900144 0.74 FPR2 (0.46) ALDH1A1
SCHEMBL27917153 0.71 TXNRD1 (0.33)

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-2649068-B1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-10-29 EP disclosed
US-8846733-B2 Oxazolyl-methylether derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-09-30 US disclosed
EP-2649068-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-10-16 EP disclosed
US-20130261159-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-03 US disclosed
CN-103261194-A Oxazolyl-methyl ether derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD 2013-08-21 CN disclosed
WO-2012077049-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-14 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-20130261159-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS P2RX7, ADORA3, P2RX1 ALDH1A1 792/4885MAPT 3502/4885KDM4E 1138/4885

“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.