SCHEMBL1608154

SCHEMBL1608154

O=[N+]([O-])c1c(O)c(O)cc2nc(-c3ccncc3)sc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
COMT P21964 4/20 0.39
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
CDC7 O00311 5/20 0.38
DBF4 Q9UBU7 5/20 0.38
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 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
SCHEMBL13935179 0.93 COMT (0.39) APPCOMTNPC1KDM4ERAB9A
SCHEMBL1609346 0.88 COMT (0.43) APPCOMTNPC1KDM4ERAB9A
SCHEMBL3815204 0.81 CDC7 (0.33) APPCOMTNPC1KDM4ERAB9A
SCHEMBL13935177 0.81 CCNE1 (0.34) APPNPC1KDM4ERAB9ACDC7
SCHEMBL1608166 0.75 MAPT (0.45) COMTRAB9A
SCHEMBL8054509 0.68 APP (0.63) APPNPC1KDM4ERAB9ACDC7
SCHEMBL13935093 0.68 APP (0.43) APPCOMTNPC1KDM4ERAB9A
SCHEMBL19757223 0.62 APP (0.52) APPKDM4ERAB9AMMP2MMP9
SCHEMBL25026544 0.62 KDM4E (0.67) APPNPC1KDM4ERAB9A
SCHEMBL11371956 0.61 GPR35 (0.51) NPC1KDM4ERAB9ACDC7PKN1

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 APP 1344/4885COMT 1/4885NPC1 558/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 APP 1598/4885COMT 1/4885NPC1 1824/4885

“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.