SCHEMBL3535704

SCHEMBL3535704

COc1cc(CS(=O)(=O)c2cccc3ccccc23)c([N+](=O)[O-])c(OCCCl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TXNRD1 Q16881 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR6 P50406 4/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL14015215 0.89 CYP19A1 (0.34) CYP19A1HTR6ALDH1A1CYP1A2CYP3A4
SCHEMBL3530271 0.87 CYP19A1 (0.38) CYP19A1MAPTHPGDHTR6NPC1
SCHEMBL3529003 0.85 CYP19A1 (0.38) CYP19A1KMT2AMEN1TXNRD1HTR6
SCHEMBL3531590 0.84 HTR6 (0.39) KMT2AMEN1HTR6ALDH1A1MTNR1A
SCHEMBL3533897 0.83 CYP19A1 (0.38) CYP19A1TXNRD1HTR6NPC1RAB9A
SCHEMBL5011395 0.82 HTR6 (0.41) MAPTKMT2AMEN1HTR6
SCHEMBL3531477 0.77 ALDH1A1 (0.38) CYP19A1MAPTKMT2AMEN1TXNRD1
SCHEMBL3531473 0.77 HTT (0.38) MAPTKMT2AMEN1TXNRD1HTR6
SCHEMBL3534805 0.75 NPC1 (0.43) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL14402178 0.73 HTR6 (0.41) KMT2AMEN1HTR6

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 4 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-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 792/4885MAPT 797/4885HPGD 469/4885

“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.