SCHEMBL3531032

SCHEMBL3531032

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.40
▸ AKR1B1 P15121 2/20 0.40
▸ HTR6 P50406 2/20 0.38
▸ TTK P33981 3/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ MET P08581 1/20 0.35
▸ DYRK1B Q9Y463 2/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ ABCC1 P33527 1/20 0.34
▸ NLRP3 Q96P20 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ CSF1R P07333 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
SCHEMBL3533371 0.78 AKR1B1 (0.37) FFAR2AKR1B1HTR6TTKMET
SCHEMBL3536066 0.76 SLC6A2 (0.47) AKR1B1HTR6
SCHEMBL1545527 0.76 TTK (0.48) AKR1B1HTR6TTKMETABCB1
SCHEMBL3955838 0.75 HTR6 (0.48) FFAR2HTR6MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL3538337 0.75 SLC6A2 (0.46) AKR1B1HTR6MAPT
SCHEMBL13721413 0.74 ATM (0.51) AKR1B1HTR6MAPT
SCHEMBL3953147 0.73 HTR6 (0.56) HTR6
SCHEMBL3533205 0.73 HTR1B (0.43) AKR1B1HTR6ABCB1TP53RAB9A
SCHEMBL3533653 0.73 HTR2A (0.51) HTR6MAPT
SCHEMBL3532415 0.73 HTR2A (0.50) HTR6

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 8 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
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 FFAR2 504/4885AKR1B1 811/4885HTR6 1/4885

“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.

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