SCHEMBL2586010

SCHEMBL2586010

FC(F)(F)COc1cnc[c]n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
THRB P10828 1/20 0.32
G6PD P11413 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL11901924 0.73 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL6419551 0.72 GABRP (0.33) MAPTALDH1A1
SCHEMBL14300729 0.71 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL30339062 0.71 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL8133589 0.70 L3MBTL1 (0.39) L3MBTL1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL8568484 0.69 ALDH1A1 (0.35) L3MBTL1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL6771377 0.68 LMNA (0.42) L3MBTL1SMN1; SMN2MAPTMAPK1CYP1A2
SCHEMBL7505946 0.67 ALDH1A1 (0.40) L3MBTL1MAPTALDH1A1KDM4EMEN1
SCHEMBL1526053 0.67 ALDH1A1 (0.40) L3MBTL1MAPTALDH1A1KDM4EMEN1
SCHEMBL24370294 0.67 L3MBTL1 (0.39) L3MBTL1SMN1; SMN2MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015028630-A1 N-SUBSTITUTED PYRIDYLIDENE COMPOUNDS AND DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2015-03-05 WO disclosed
EP-2566855-B1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-05-21 EP disclosed
US-8673894-B2 2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-03-18 US disclosed
US-20140045820-A1 2,5,6,7-Tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-02-13 US disclosed
EP-2566855-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-03-13 EP disclosed
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 US disclosed
WO-2011138293-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-10 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-20140045820-A1 2,5,6,7-Tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds BACE2, BACE1, PSEN2 L3MBTL1 3402/4885SMN1; SMN2 424/4885MAPT 256/4885
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 L3MBTL1 3402/4885SMN1; SMN2 424/4885MAPT 256/4885

“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.