SCHEMBL3533713

SCHEMBL3533713

O=[N+]([O-])c1ccc(F)cc1OCCCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
RECQL P46063 2/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
S1PR4 O95977 1/20 0.46
FAAH O00519 2/20 0.44
ACHE P22303 2/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
BCHE P06276 1/20 0.43
PKM P14618 1/20 0.42
HSPB1 P04792 2/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL2548000 0.84 NPC1 (0.75) RAB9ARECQLNPC1ALDH1A1MAPT
SCHEMBL3811713 0.84 TDP1 (0.54) RAB9ARECQLNPC1ALDH1A1MAPT
SCHEMBL3514013 0.84 MAPT (0.53) RAB9ARECQLNPC1ALDH1A1MAPT
SCHEMBL1924834 0.84 RAB9A (0.51) RAB9ARECQLNPC1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4845394 0.83 TDP1 (0.53) RAB9ARECQLNPC1ALDH1A1MAPT
SCHEMBL10477058 0.83 MAPT (0.52) RAB9ARECQLNPC1ALDH1A1MAPT
SCHEMBL29382840 0.83 NPC1 (0.54) RAB9ARECQLNPC1ALDH1A1MAPT
SCHEMBL2833379 0.83 NPC1 (0.54) RAB9ARECQLNPC1ALDH1A1MAPT
SCHEMBL3484477 0.83 ALDH1A1 (0.52) RAB9ARECQLNPC1ALDH1A1MAPT
SCHEMBL3514222 0.82 MAPT (0.51) RAB9ARECQLNPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
EP-2004659-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-HI]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2008-12-24 EP disclosed
US-20080280893-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-13 US disclosed
US-20080280893-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-13 US disclosed
US-20080280893-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-11-13 US disclosed
US-7414051-B2 Substituted-dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-08-19 US disclosed
US-7414051-B2 Substituted-dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-08-19 US disclosed
US-7414051-B2 Substituted-dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-08-19 US disclosed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007120594-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-HI]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-10-25 WO disclosed
WO-2007120594-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-HI]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-10-25 WO disclosed
US-20070244106-A1 Substituted-dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-18 US disclosed
US-20070244106-A1 Substituted-dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-18 US disclosed
US-20070244106-A1 Substituted-dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-18 US disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 US disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 US disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 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 (3 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-20080280893-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-hi]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR2C RAB9A 3836/4885RECQL 2526/4885NPC1 1963/4885
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A RAB9A 3414/4885RECQL 2544/4885NPC1 478/4885
US-20070244106-A1 Substituted-dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C RAB9A 3836/4885RECQL 2526/4885NPC1 1963/4885

“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.