SCHEMBL9900593

SCHEMBL9900593

O=[N+]([O-])c1cnn(Cc2csc(CO)n2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DCTPP1 Q9H773 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
SCHEMBL9900725 0.90 HDAC1 (0.32) HDAC1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL27917123 0.81 HSD17B10 (0.40) HDAC1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL9900188 0.79 MAPT (0.31) ALDH1A1
SCHEMBL27917090 0.79 F2RL3 (0.33) DCTPP1
SCHEMBL9899807 0.76 JAK2 (0.42) ALDH1A1
SCHEMBL1703731 0.75 MAPT (0.38) ALDH1A1SMN1; SMN2
SCHEMBL27917153 0.73 TXNRD1 (0.33)
SCHEMBL27853597 0.73 RAB9A (0.35) ALDH1A1SMN1; SMN2
SCHEMBL27870396 0.73 LMNA (0.32) ALDH1A1SMN1; SMN2
SCHEMBL2329242 0.73 ADAMTS7 (0.30) ALDH1A1SMN1; SMN2

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 HDAC1 2431/4885HDAC6 2865/4885ALDH1A1 792/4885

“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.