SCHEMBL1978032

SCHEMBL1978032

CC(=O)c1cc([N+](=O)[O-])cc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HIF1A Q16665 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL11797065 0.84 ALDH1A1 (0.50) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL29723209 0.84 ALDH1A1 (0.46) MAPTTHRBMAPK1ALDH1A1KMT2A
SCHEMBL23413022 0.84 ALDH1A1 (0.46) MAPTTHRBMAPK1ALDH1A1KMT2A
SCHEMBL11807156 0.84 KMT2A (0.47) MAPTTHRBMAPK1ALDH1A1KMT2A
SCHEMBL14732131 0.84 MEN1 (0.39) MAPTTHRBMAPK1ALDH1A1KMT2A
SCHEMBL7458202 0.84 ALDH1A1 (0.44) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL1740988 0.84 ALDH1A1 (0.46) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL12548246 0.83 MAPT (0.44) MAPTTHRBMAPK1ALDH1A1KMT2A
SCHEMBL15081285 0.81 ALDH1A1 (0.45) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL13226024 0.81 GAA (0.42) MAPTALDH1A1KMT2AMEN1LMNA

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 MAPT 62/4885THRB 2698/4885MAPK1 2993/4885

“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.