SCHEMBL9900044

SCHEMBL9900044

COCc1cnc(Cn2ncc([N+](=O)[O-])n2)s1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
OGA O60502 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
SCHEMBL9900241 0.90 ALDH1A1 (0.33) MAPTALDH1A1KDM4EHPGDOGA
SCHEMBL9899771 0.82 ALDH1A1 (0.32) MAPTALDH1A1KDM4EHPGD
SCHEMBL9900219 0.78 POLB (0.32) MEN1KMT2A
SCHEMBL9900188 0.77 MAPT (0.31) MAPTALDH1A1KDM4E
SCHEMBL2328452 0.75 OGA (0.31) OGA
SCHEMBL9900106 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDMEN1LMNA
SCHEMBL9900144 0.75 FPR2 (0.46) ALDH1A1
SCHEMBL9899943 0.75 SCN9A (0.35) MAPTALDH1A1KDM4E
SCHEMBL27917153 0.74 TXNRD1 (0.33)
SCHEMBL9899898 0.72 FPR2 (0.38) ALDH1A1

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 MAPT 3502/4885ALDH1A1 792/4885KDM4E 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.