SCHEMBL5043315

SCHEMBL5043315

c1ccc2nc3c(cc2c1)ONC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
HPGD P15428 3/20 0.45
GLA P06280 2/20 0.45
ACHE P22303 1/20 0.45
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 5/20 0.35
GAA P10253 3/20 0.35
HTR3A P46098 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
STAT3 P40763 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL22743879 0.73 ALDH1A1 (0.39) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL11977440 0.69 NPC1 (0.41) ALDH1A1MAPTCYP1A2KDM4ENPC1
SCHEMBL7929258 0.68 ALDH1A1 (0.46) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL5550904 0.68 ALDH1A1 (0.46) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL941324 0.68 MAPT (0.42) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL223759 0.67 ALDH1A1 (0.45) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL24650610 0.66 CYP1A2 (0.34) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL10573026 0.66 ALDH1A1 (0.54) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL4918873 0.66 ALDH1A1 (0.54) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL2657414 0.66 NPC1 (0.46) ALDH1A1MAPTHPGDGLAACHE

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465741-B2 C-substituted tricyclic isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA N.V. (BG) 2008-12-16 US disclosed
US-7465741-B2 C-substituted tricyclic isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA N.V. (BG) 2008-12-16 US disclosed
US-7462717-B2 C6-and C9-substituted chromeno[4,3-c]isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-09 US disclosed
US-7462717-B2 C6-and C9-substituted chromeno[4,3-c]isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-09 US disclosed
EP-1532155-B1 C6- AND C9-SUBSTITUTED CHROMENO[4,3-c]ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP disclosed
EP-1532155-B1 C6- AND C9-SUBSTITUTED CHROMENO[4,3-c]ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP disclosed
EP-1537124-B1 C-SUBSTITUTED TRICYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2007-08-01 EP disclosed
EP-1537124-B1 C-SUBSTITUTED TRICYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2007-08-01 EP disclosed
CN-1329396-C C-substituted tricyclic isoxazol 58743azoline derivatives and their use as antidepressants JANSSEN PHARMACEUTICA NV (BE) 2007-08-01 CN disclosed
CN-1303085-C C6- and C9-substituted isoxazoline derivatives and their use as anti-depressants JANSSEN PHARMACEUTICA NV (BE) 2007-03-07 CN disclosed
EP-1537124-A1 C-SUBSTITUTED TRICYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-08 EP disclosed
EP-1537124-A1 C-SUBSTITUTED TRICYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-08 EP disclosed
EP-1532155-A2 C6- AND C9-SUBSTITUTED CHROMENO[4,3-c]ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-25 EP disclosed
EP-1532155-A2 C6- AND C9-SUBSTITUTED CHROMENO[4,3-c]ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-25 EP disclosed
WO-2004018482-A8 C6- AND C9-SUBSTITUTED CHROMENO[4, 3-C]ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2005-03-24 WO disclosed
WO-2004018482-A3 C6- AND C9-SUBSTITUTED CHROMENO[4, 3-C]ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2004-04-01 WO disclosed
WO-2004018482-A2 C6- AND C9-SUBSTITUTED CHROMENO[4, 3-C]ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-04 WO disclosed
WO-2004018482-A2 C6- AND C9-SUBSTITUTED CHROMENO[4, 3-C]ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-04 WO disclosed
WO-2004016621-A1 C-SUBSTITUTED TRICYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-26 WO disclosed
WO-2004016621-A1 C-SUBSTITUTED TRICYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-26 WO disclosed