SCHEMBL3533897

SCHEMBL3533897

O=[N+]([O-])c1c(CS(=O)(=O)c2cccc3ccccc23)cccc1OCCCCl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTR1B P28222 3/20 0.36
KCNA3 P22001 1/20 0.35
PIN1 Q13526 1/20 0.35
TXNRD1 Q16881 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
NCEH1 Q6PIU2 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
TDP1 Q9NUW8 1/20 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

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 0.96 CYP19A1 (0.38) CYP19A1NPC1RAB9AHTR1BPIN1
SCHEMBL3530271 0.85 CYP19A1 (0.38) CYP19A1NPC1RAB9ANCEH1HTR6
SCHEMBL27716513 0.84 CYP19A1 (0.39) CYP19A1HTR1BPIN1TXNRD1NCEH1
SCHEMBL4843310 0.84 CYP19A1 (0.36) CYP19A1PIN1TXNRD1NCEH1HTR6
SCHEMBL3535704 0.83 CYP19A1 (0.36) CYP19A1NPC1RAB9ATXNRD1TDP1
SCHEMBL3535404 0.82 HTR1B (0.42) HTR1BKCNA3CASP1SLC6A4HRH1
SCHEMBL14015215 0.81 CYP19A1 (0.34) CYP19A1KCNA3NCEH1HTR6CYP3A4
SCHEMBL4636117 0.81 NPC1 (0.35) NPC1RAB9ATXNRD1RECQLTDP1
SCHEMBL5011395 0.79 HTR6 (0.41) HTR6
SCHEMBL3534237 0.78 HTT (0.41) CYP19A1NPC1RAB9ATXNRD1RECQL

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 5 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
CN-101282938-A Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2008-10-08 CN 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-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 (1 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-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 792/4885NPC1 478/4885RAB9A 3414/4885

“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.