SCHEMBL1033797

SCHEMBL1033797

O=[N+]([O-])c1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.46
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 2/20 0.43
DHODH Q02127 1/20 0.42
PDE10A Q9Y233 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DYRK1A Q13627 3/20 0.40
TRPV3 Q8NET8 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ATR Q13535 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
EIF4E P06730 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL1035540 0.81 MEN1 (0.54) XDHMEN1KMT2ALMNAPDE10A
SCHEMBL1645512 0.79 PDE10A (0.50) MEN1KMT2ALMNAPDE10ASMN1; SMN2
SCHEMBL1029911 0.79 XDH (0.53) XDHDYRK1ATRPV3CTSSCTSK
SCHEMBL2671406 0.78 RAB9A (0.47) XDHMEN1KMT2ALMNADHODH
SCHEMBL1031073 0.78 MEN1 (0.55) MEN1KMT2ALMNAPDE10ASMN1; SMN2
SCHEMBL1032421 0.77 DHODH (0.58) XDHDHODHDYRK1ATRPV3
SCHEMBL1031324 0.76 MEN1 (0.46) MEN1KMT2ALMNAPDE10ASMN1; SMN2
SCHEMBL1034552 0.75 PARP1 (0.48) XDHDHODHSMN1; SMN2MAPTDYRK1A
SCHEMBL1029923 0.75 XDH (0.45) XDHDHODHPDE10ADYRK1ATRPV3
SCHEMBL6236941 0.74 XDH (0.45) XDHMEN1KMT2AMAPTDYRK1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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 (1 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 XDH 895/4885MEN1 2841/4885KMT2A 997/4885

“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.