SCHEMBL1974337

SCHEMBL1974337

CC(=O)c1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HIF1A Q16665 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
VCAM1 P19320 1/20 0.40
CASP6 P55212 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
USP10 Q14694 1/20 0.38
USP7 Q93009 1/20 0.38
USP47 Q96K76 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1584382 0.86 TDP1 (0.43) TDP1ATMALDH1A1HIF1AL3MBTL1
SCHEMBL29197041 0.84 TDP1 (0.50) TDP1ATMALDH1A1HIF1AL3MBTL1
SCHEMBL31146075 0.83 TDP1 (0.44) TDP1ATMALDH1A1HIF1AL3MBTL1
SCHEMBL30395006 0.81 SMN1; SMN2 (0.42) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL13317848 0.79 TDP1 (0.41) TDP1ATMALDH1A1HIF1AL3MBTL1
SCHEMBL16044470 0.79 TDP1 (0.53) TDP1ALDH1A1HIF1AL3MBTL1MAPK1
SCHEMBL28085778 0.78 MAPK1 (0.51) TDP1ATMALDH1A1HIF1AL3MBTL1
SCHEMBL28579212 0.77 SMN1; SMN2 (0.47) TDP1ATMALDH1A1HIF1AL3MBTL1
SCHEMBL17145186 0.77 TDP1 (0.47) TDP1ATMALDH1A1L3MBTL1MAPK1
SCHEMBL30313234 0.76 CES2 (0.46) TDP1ALDH1A1MAPK1SMN1; SMN2KMT2A

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
US-8389513-B2 2-amino-5,5-difluoro-5,6-dihydro-4H-[1,3]oxazin-4-yl)-phenyl]-amides HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2509965-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US 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-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES BACE2, BACE1, APP TDP1 871/4885ATM 4486/4885ALDH1A1 241/4885

“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.