SCHEMBL3533773

SCHEMBL3533773

O=S(=O)(c1ccccc1)c1n[nH]c2c(CCNC3CC3)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.49
HTR2A P28223 4/20 0.49
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RECQL P46063 1/20 0.37
HTR6 P50406 3/20 0.35
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CAMK2B Q13554 1/20 0.35

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
Hydrochloric Acid SCHEMBL3536330 0.99 SLC6A2 (0.48) SLC6A2HTR2AALDH1A1KMT2ASMN1; SMN2
SCHEMBL3533653 0.84 HTR2A (0.51) SLC6A2HTR2AALDH1A1HTR6
SCHEMBL3536066 0.80 SLC6A2 (0.47) SLC6A2HTR2AHTR6
SCHEMBL3532382 0.80 HTR6 (0.38) SLC6A2HTR2AALDH1A1LMNAHTR6
Hydrochloric Acid SCHEMBL3538337 0.79 SLC6A2 (0.46) SLC6A2HTR2ASMN1; SMN2HTR6
SCHEMBL3571257 0.79 SLC6A2 (0.64) SLC6A2HTR2AALDH1A1KMT2ASMN1; SMN2
SCHEMBL8424748 0.77 ALDH1A1 (0.40) SLC6A2HTR2AALDH1A1KMT2ASMN1; SMN2
SCHEMBL3532415 0.77 HTR2A (0.50) SLC6A2HTR2AHTR6
Trifluoroacetic Acid SCHEMBL3536574 0.77 HTR2A (0.44) SLC6A2HTR2AALDH1A1HTR6
Hydrochloric Acid SCHEMBL3530170 0.76 HTR2A (0.49) SLC6A2HTR2AHTR6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282938-A Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH CORP (US) 2008-10-08 CN claimed
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 claimed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO claimed
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 claimed
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

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 SLC6A2 47/4885HTR2A 11/4885ALDH1A1 690/4885

“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.