SCHEMBL1609251

SCHEMBL1609251

O=C1OCc2c1cc(O)c(O)c2[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.36
MAOA P21397 1/20 0.35
MAPT P10636 3/20 0.34
GPR35 Q9HC97 2/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
S100A4 P26447 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
PMP22 Q01453 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3815519 0.89 ALDH1A1 (0.33) MAOBMAOAALDH1A1ALOX5NUAK1
SCHEMBL1609751 0.78 RECQL (0.38) MAOAMAPTKDM4EALDH1A1RECQL
SCHEMBL1608810 0.75 KDM4E (0.44) MAOAMAPTGPR35MEN1HPGD
SCHEMBL15680228 0.73 ALOX5 (0.36) MAOBMAOAALOX5NUAK1IGF1R
SCHEMBL1608266 0.73 NUAK1 (0.43) MAOAGPR35S100A4NUAK1IGF1R
SCHEMBL1609319 0.71 ALDH1A1 (0.41) MAPTGPR35MEN1HPGDKMT2A
SCHEMBL2049186 0.67 PGR (0.41) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL2041366 0.67 POLB (0.39) MAOBMAOAMAPTHPGDKMT2A
SCHEMBL29947934 0.67 PGR (0.41) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL1609100 0.66 IMPDH1 (0.45) HPGDKDM4EALDH1A1CYP1A2HSD17B10

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 10 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
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 MAOB 10/4885MAOA 14/4885MAPT 1148/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 MAOB 9/4885MAOA 10/4885MAPT 2131/4885

“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.