SCHEMBL1608810

SCHEMBL1608810

O=C1OCc2cc(O)c(O)c([N+](=O)[O-])c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
PRKCG P05129 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
MAOA P21397 1/20 0.35
GPR35 Q9HC97 3/20 0.34
S100A4 P26447 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TTR P02766 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
SCHEMBL1609251 0.75 MAOB (0.36) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7432202 0.74 KMT2A (0.36) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15680307 0.73 GAA (0.49) KDM4ESMN1; SMN2GAAPRKCGPRKCA
SCHEMBL1608266 0.73 NUAK1 (0.43) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3815519 0.73 ALDH1A1 (0.33) PRKCGPRKCAPRKCDMAOAALDH1A1
SCHEMBL7432592 0.72 KMT2A (0.39) KDM4EGAAGRIN2DGRIN3BGRIN1
SCHEMBL7428171 0.72 KMT2A (0.39) KDM4EPRKCGPRKCAPRKCDGRIN2D
SCHEMBL18311415 0.71 GAA (0.50) KDM4ESMN1; SMN2GAAPRKCGPRKCA
SCHEMBL1609319 0.71 ALDH1A1 (0.41) KDM4EGAAPRKCGPRKCAPRKCD
SCHEMBL6214355 0.71 GPR35 (0.48) KDM4ESMN1; SMN2GAAMAOAGPR35

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 KDM4E 2512/4885SMN1; SMN2 1281/4885GAA 42/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 KDM4E 594/4885SMN1; SMN2 2315/4885GAA 70/4885

“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.