SCHEMBL1608770

SCHEMBL1608770

COc1cc2c(Cl)csc2c([N+](=O)[O-])c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 10/20 0.45
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
ERN1 O75460 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
CDK2 P24941 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.36
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL1609344 0.81 COMT (0.53) COMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8896271 0.68 GRIN2D (0.73) KDM4ETDP1MAPTBLMGRIN2D
SCHEMBL9348410 0.68 PKM (0.55) KDM4ETDP1MAPTERN1MEN1
SCHEMBL1437990 0.67 ERN1 (0.62) KDM4ETDP1MAPTERN1MEN1
SCHEMBL1608929 0.67 CDK2 (0.44) COMTKDM4ETDP1MAPTBLM
SCHEMBL1609359 0.67 PKM (0.44) COMTKDM4ETDP1MAPTBLM
SCHEMBL12584738 0.66 TDP1 (0.53) KDM4ETDP1MAPTERN1MEN1
SCHEMBL6010819 0.64 EGFR (0.54) TDP1MAPTERN1MEN1GAA
SCHEMBL1609700 0.64 MAOB (0.36) KDM4EMAPTBLMERN1GAA
SCHEMBL6339929 0.64 S100A4 (0.55) TDP1ERN1MEN1KMT2APKM

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 COMT 1/4885KDM4E 2512/4885TDP1 727/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 COMT 1/4885KDM4E 594/4885TDP1 1084/4885

“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.