SCHEMBL3529003

SCHEMBL3529003

O=[N+]([O-])c1c(CS(=O)(=O)c2cccc3ccccc23)cccc1OCCCl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.38
PIN1 Q13526 1/20 0.35
TXNRD1 Q16881 1/20 0.35
CASP1 P29466 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
HTR1B P28222 2/20 0.34
BCHE P06276 1/20 0.34
HTR6 P50406 1/20 0.34
NPY1R P25929 1/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3533897 0.96 CYP19A1 (0.38) CYP19A1PIN1TXNRD1CASP1NPC1
SCHEMBL3530271 0.87 CYP19A1 (0.38) CYP19A1NPC1RAB9ANCEH1HTR6
SCHEMBL4636117 0.86 NPC1 (0.35) TXNRD1NPC1RAB9ARECQLMEN1
SCHEMBL3535704 0.85 CYP19A1 (0.36) CYP19A1TXNRD1NPC1RAB9AMEN1
SCHEMBL27716513 0.84 CYP19A1 (0.39) CYP19A1PIN1TXNRD1NCEH1HTR1B
SCHEMBL4843310 0.84 CYP19A1 (0.36) CYP19A1PIN1TXNRD1NCEH1HTR6
SCHEMBL14015215 0.83 CYP19A1 (0.34) CYP19A1NCEH1HTR6CYP3A4ALDH1A1
SCHEMBL3534237 0.83 HTT (0.41) CYP19A1TXNRD1NPC1RAB9ARECQL
SCHEMBL3534805 0.83 NPC1 (0.43) PIN1NPC1RAB9ARECQLMEN1
SCHEMBL3534503 0.82 HTR1B (0.40) CASP1MEN1KMT2AHTR1BBCHE

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 11 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-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
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 1181/4885PIN1 939/4885TXNRD1 3457/4885
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 792/4885PIN1 1372/4885TXNRD1 1642/4885
US-20070244106-A1 Substituted-dihydro[1,4]oxazino[2,3,4-hi]indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C CYP19A1 1181/4885PIN1 939/4885TXNRD1 3457/4885

“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.