SCHEMBL9900065

SCHEMBL9900065

COC(=O)c1csc(Cn2ncc([N+](=O)[O-])n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
GAA P10253 3/20 0.38
SGK1 O00141 1/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPT P10636 5/20 0.34
NPC1 O15118 2/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 4/20 0.33
ALOX12 P18054 1/20 0.33
GSK3B P49841 1/20 0.33
AR P10275 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ELANE P08246 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MITF O75030 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
SCHEMBL1703731 0.87 MAPT (0.38) RAB9AGAAALDH1A1MAPTNPC1
SCHEMBL27853597 0.85 RAB9A (0.35) RAB9AGAAALDH1A1MAPTNPC1
SCHEMBL27917153 0.81 TXNRD1 (0.33) SGK1
SCHEMBL27917120 0.80 KMT2A (0.32) RAB9ASGK1ALDH1A1MEN1KMT2A
SCHEMBL9900188 0.79 MAPT (0.31) RAB9ASGK1ALDH1A1MAPT
SCHEMBL27870396 0.78 LMNA (0.32) GAAALDH1A1LMNASMN1; SMN2
SCHEMBL27917123 0.77 HSD17B10 (0.40) RAB9AGAAALDH1A1MAPTNPC1
SCHEMBL1703930 0.74 MEN1 (0.31) ALDH1A1MAPTMEN1KMT2A
SCHEMBL9899943 0.74 SCN9A (0.35) RAB9ASGK1ALDH1A1MAPT
SCHEMBL9900593 0.72 HDAC1 (0.32) 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 5 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
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 RAB9A 4102/4885GAA 3957/4885SGK1 3612/4885

“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.