SCHEMBL3530271

SCHEMBL3530271

O=[N+]([O-])c1c(CS(=O)(=O)c2cccc3ccccc23)cc(F)cc1OCCCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.38
PTGES O14684 1/20 0.33
CYP3A4 P08684 2/20 0.33
ADRA1D P25100 4/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
NPY1R P25929 2/20 0.32
NCEH1 Q6PIU2 1/20 0.32
S1PR4 O95977 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HTR6 P50406 1/20 0.31
MGMT P16455 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3529003 0.87 CYP19A1 (0.38) CYP19A1CYP3A4NPY1RNCEH1NPC1
SCHEMBL3535704 0.87 CYP19A1 (0.36) CYP19A1CYP3A4NPY1RNPC1RAB9A
SCHEMBL4636438 0.86 ADRA1D (0.33) CYP19A1CYP3A4ADRA1DADRA1AADRA1B
SCHEMBL14015215 0.85 CYP19A1 (0.34) CYP19A1PTGESCYP3A4NCEH1HTR6
SCHEMBL3533897 0.85 CYP19A1 (0.38) CYP19A1CYP3A4NPY1RNCEH1NPC1
SCHEMBL3531354 0.84 CA1 (0.35) ADRA1DADRA1AADRA1BHTR6HTR2A
SCHEMBL3532416 0.83 HTT (0.40) CYP19A1CYP3A4S1PR4NPC1RAB9A
SCHEMBL14099854 0.83 CYP19A1 (0.40) CYP19A1PTGESCYP3A4S1PR4MGMT
SCHEMBL5011395 0.82 HTR6 (0.41) HTR6MAPTHTR2AHTR2C
SCHEMBL3531477 0.77 ALDH1A1 (0.38) CYP19A1CYP3A4HTR6CYP1A2CYP2D6

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 14 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
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
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
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

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 CYP19A1 1181/4885PTGES 1016/4885CYP3A4 306/4885
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 CYP19A1 792/4885PTGES 483/4885CYP3A4 1682/4885
US-20070244106-A1 Substituted-dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C CYP19A1 1181/4885PTGES 1016/4885CYP3A4 306/4885

“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.