SCHEMBL3533996

SCHEMBL3533996

NCCOc1cc(F)cc2c(S(=O)(=O)c3cccc4ccccc34)nn(Cc3cccc(Cl)c3)c12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.42
HTR2B P41595 4/20 0.42
HTR2C P28335 3/20 0.42
DRD2 P14416 2/20 0.42
HTR1B P28222 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NR1I2 O75469 1/20 0.33
PKM P14618 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 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
Hydrochloric Acid SCHEMBL3531766 0.95 HTR6 (0.41) HTR6HTR2BHTR2CDRD2HTR1B
Hydrochloric Acid SCHEMBL3535711 0.94 HTR6 (0.41) HTR6HTR2BHTR2CDRD2HTR1B
SCHEMBL3532374 0.93 HTR6 (0.42) HTR6HTR2BHTR2CDRD2MEN1
SCHEMBL3532795 0.91 HTR6 (0.45) HTR6HTR2BHTR2CDRD2HTR1B
SCHEMBL8239441 0.90 HTR6 (0.42) HTR6HTR2BHTR2CDRD2HTR1B
SCHEMBL3531496 0.90 HTR6 (0.42) HTR6HTR2BHTR2CDRD2HTR1B
Hydrochloric Acid SCHEMBL3535713 0.89 HTR6 (0.41) HTR6HTR2BHTR2CDRD2MEN1
Hydrochloric Acid SCHEMBL3531763 0.89 HTR6 (0.42) HTR6HTR2BHTR2CDRD2HTR1B
Hydrochloric Acid SCHEMBL3528624 0.88 HTR6 (0.41) HTR6HTR2BHTR2CDRD2HTR1B
Hydrochloric Acid SCHEMBL3535710 0.88 HTR6 (0.41) HTR6HTR2BHTR2CDRD2HTR1B

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 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
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US 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 1/4885HTR2B 22/4885HTR2C 7/4885

“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.