SCHEMBL3532382

SCHEMBL3532382

O=S(=O)(c1ccccc1)c1n[nH]c2c(CCO)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.38
AKR1B1 P15121 1/20 0.35
FEN1 P39748 1/20 0.34
SLC6A2 P23975 4/20 0.34
HTR2A P28223 3/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.33
CSNK1A1 P48729 1/20 0.33
LIMK1 P53667 1/20 0.33
CDK5 Q00535 1/20 0.33
ACVR1 Q04771 1/20 0.33
TNK2 Q07912 1/20 0.33
AURKB Q96GD4 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 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
SCHEMBL3536066 0.87 SLC6A2 (0.47) HTR6AKR1B1SLC6A2HTR2A
Hydrochloric Acid SCHEMBL3538337 0.86 SLC6A2 (0.46) HTR6AKR1B1SLC6A2HTR2AMAPT
SCHEMBL3532415 0.84 HTR2A (0.50) HTR6SLC6A2HTR2A
SCHEMBL3533653 0.84 HTR2A (0.51) HTR6SLC6A2HTR2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL3530170 0.83 HTR2A (0.49) HTR6SLC6A2HTR2A
SCHEMBL27716517 0.82 AKR1B1 (0.32) HTR6AKR1B1SLC6A2HTR2A
SCHEMBL3533773 0.80 SLC6A2 (0.49) HTR6SLC6A2HTR2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL3536330 0.79 SLC6A2 (0.48) HTR6SLC6A2HTR2AALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL3536574 0.79 HTR2A (0.44) HTR6SLC6A2HTR2AALDH1A1
SCHEMBL3531146 0.77 KMT2A (0.36) AKR1B1ALDH1A1

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 10 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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
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
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
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
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 HTR6 1/4885AKR1B1 811/4885FEN1 4752/4885

“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.