SCHEMBL1608266

SCHEMBL1608266

O=C1OCc2c1c([N+](=O)[O-])c(O)c(O)c2[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.43
IGF1R P08069 1/20 0.43
MET P08581 1/20 0.43
PIM1 P11309 1/20 0.43
SRC P12931 1/20 0.43
AXL P30530 1/20 0.43
AKT1 P31749 1/20 0.43
KDR P35968 1/20 0.43
NEK2 P51955 1/20 0.43
PLK1 P53350 1/20 0.43
PTK2 Q05397 1/20 0.43
PKN1 Q16512 1/20 0.43
AURKB Q96GD4 1/20 0.43
NEK6 Q9HC98 1/20 0.43
ALK Q9UM73 1/20 0.43
GPR35 Q9HC97 2/20 0.34
S100A4 P26447 1/20 0.34
IMPDH2 P12268 3/20 0.33
IMPDH1 P20839 1/20 0.33
MAOA P21397 1/20 0.32

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
SCHEMBL1609100 0.83 IMPDH1 (0.45) NUAK1IGF1RMETPIM1SRC
SCHEMBL6214355 0.66 GPR35 (0.48) GPR35MAOAERN1LMNAHTT
SCHEMBL22472340 0.61 SMN1; SMN2 (0.48) NUAK1IGF1RMETPIM1SRC
SCHEMBL1502113 0.61 S100A4 (0.48) GPR35S100A4GRIN2DGRIN3BGRIN1
SCHEMBL20985115 0.61 S100A4 (0.48) GPR35S100A4GRIN2DGRIN3BGRIN1
SCHEMBL3083248 0.61 S100A4 (0.48) GPR35S100A4GRIN2DGRIN3BGRIN1
SCHEMBL5860030 0.59 S100A4 (0.46) GPR35S100A4GRIN2DGRIN3BGRIN1
SCHEMBL31123045 0.59 S100A4 (0.46) GPR35S100A4GRIN2DGRIN3BGRIN1
Water SCHEMBL3516244 0.59 S100A4 (0.46) GPR35S100A4GRIN2DGRIN3BGRIN1
SCHEMBL22288284 0.59 S100A4 (0.46) GPR35S100A4GRIN2DGRIN3BGRIN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US claimed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP claimed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US claimed
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP claimed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 WO claimed
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US disclosed
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 NUAK1 2380/4885IGF1R 3934/4885MET 3186/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 NUAK1 3821/4885IGF1R 2197/4885MET 1933/4885

“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.