SCHEMBL3534237

SCHEMBL3534237

O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)cccc1OCCCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
TXNRD1 Q16881 1/20 0.35
HSD11B1 P28845 1/20 0.34
HTR6 P50406 3/20 0.34
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
BCHE P06276 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
SCHEMBL4636117 0.84 NPC1 (0.35) NPC1RECQLRAB9AALDH1A1KMT2A
SCHEMBL3532416 0.84 HTT (0.40) HTTNPC1RECQLRAB9AALDH1A1
SCHEMBL3529003 0.83 CYP19A1 (0.38) NPC1RECQLRAB9AALDH1A1KMT2A
SCHEMBL3531552 0.80 CYP1A2 (0.36) NPC1KMT2AMEN1MAPTHTR6
SCHEMBL3533897 0.78 CYP19A1 (0.38) NPC1RECQLRAB9ATXNRD1HTR6
SCHEMBL18989608 0.78 NPC1 (0.50) NPC1RECQLRAB9AALDH1A1KMT2A
SCHEMBL5201891 0.78 HTT (0.43) HTTNPC1RAB9AALDH1A1KMT2A
SCHEMBL3533079 0.75 HTT (0.43) HTTNPC1RAB9AALDH1A1KMT2A
SCHEMBL14609538 0.75 HTT (0.43) HTTRAB9AALDH1A1KMT2AMEN1
SCHEMBL11776932 0.74 NPC1 (0.44) NPC1RECQLRAB9AALDH1A1KMT2A

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 HTT 465/4885NPC1 478/4885RECQL 2544/4885

“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.