SCHEMBL1609100

SCHEMBL1609100

COc1c(O)c([N+](=O)[O-])c2c(c1[N+](=O)[O-])C(=O)OC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH1 P20839 14/20 0.45
IMPDH2 P12268 13/20 0.45
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
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL1608937 0.88 IMPDH2 (0.40) IMPDH1IMPDH2NUAK1IGF1RMET
SCHEMBL1608266 0.83 NUAK1 (0.43) IMPDH1IMPDH2NUAK1IGF1RMET
SCHEMBL10652452 0.71 IMPDH2 (0.36) IMPDH1IMPDH2NUAK1IGF1RMET
SCHEMBL14303755 0.69 IMPDH1 (0.67) IMPDH1IMPDH2NUAK1IGF1RMET
SCHEMBL1609251 0.66 MAOB (0.36) NUAK1IGF1RMETPIM1SRC
SCHEMBL1502447 0.65 SMN1; SMN2 (0.50) IMPDH2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL1502446 0.65 SMN1; SMN2 (0.50) IMPDH2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL1502073 0.65 SMN1; SMN2 (0.50) IMPDH2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL1502035 0.65 SMN1; SMN2 (0.50) IMPDH2KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL1609751 0.64 RECQL (0.38) IMPDH2NUAK1IGF1RMETPIM1

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
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 IMPDH1 592/4885IMPDH2 946/4885NUAK1 2380/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 IMPDH1 1817/4885IMPDH2 2495/4885NUAK1 3821/4885

“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.