SCHEMBL1609751

SCHEMBL1609751

CC(=O)Oc1cc2c(c([N+](=O)[O-])c1O)COC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
PTGS2 P35354 1/20 0.35
CYP3A4 P08684 1/20 0.35
IMPDH2 P12268 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TNFSF11 O14788 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NUAK1 O60285 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
PIM1 P11309 1/20 0.33
SRC P12931 1/20 0.33
AXL P30530 1/20 0.33
AKT1 P31749 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL1609251 0.78 MAOB (0.36) RECQLALDH1A1MAPTKDM4ENUAK1
SCHEMBL1608925 0.70 SMN1; SMN2 (0.41) RECQLCYP3A4SMN1; SMN2ALDH1A1MAPT
SCHEMBL3815519 0.70 ALDH1A1 (0.33) ALDH1A1NUAK1IGF1RMETPIM1
SCHEMBL1608882 0.69 CYP3A4 (0.65) PTGS2CYP3A4IMPDH2SMN1; SMN2TNFSF11
SCHEMBL1608898 0.69 CYP3A4 (0.55) PTGS2CYP3A4IMPDH2SMN1; SMN2TNFSF11
SCHEMBL7632703 0.68 PTGS2 (0.47) RECQLPTGS2IMPDH2SMN1; SMN2ALDH1A1
SCHEMBL31305190 0.66 RECQL (0.43) RECQLPTGS2SMN1; SMN2TNFSF11ALDH1A1
SCHEMBL1608266 0.66 NUAK1 (0.43) IMPDH2SMN1; SMN2NUAK1IGF1RMET
SCHEMBL24210588 0.64 CYP3A4 (0.53) CYP3A4IMPDH2ALDH1A1MAPTKDM4E
SCHEMBL1609297 0.64 COMT (0.35) RECQLSMN1; SMN2ALDH1A1MAPTKDM4E

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 RECQL 1682/4885PTGS2 618/4885CYP3A4 20/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 RECQL 285/4885PTGS2 1838/4885CYP3A4 3/4885

“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.