SCHEMBL3532453

SCHEMBL3532453

O=S(=O)(c1ccccc1)c1nn(Cc2cccc(Cl)c2)c2c(OCCN3CCCC3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.44
HTR1A P08908 8/20 0.43
HTR7 P34969 7/20 0.43
HTR6 P50406 3/20 0.43
DRD2 P14416 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HRH1 P35367 3/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
DRD3 P35462 2/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL3535461 0.90 HTR6 (0.47) LTA4HHTR1AHTR7HTR6DRD2
SCHEMBL3531810 0.89 HTR6 (0.47) LTA4HHTR1AHTR7HTR6DRD2
SCHEMBL3539703 0.86 MAPT (0.41) HTR7HTR6KDM4EALDH1A1HTR1B
SCHEMBL3532678 0.86 HTR6 (0.47) HTR7HTR6DRD2KDM4EALDH1A1
SCHEMBL3532573 0.86 MAPT (0.41) HTR7HTR6KDM4EALDH1A1
SCHEMBL3532007 0.85 MAPT (0.40) HTR7HTR6KDM4EALDH1A1
SCHEMBL3539699 0.85 HTR6 (0.45) HTR1AHTR6KDM4EALDH1A1ADRA1A
SCHEMBL3535899 0.84 TP53 (0.43) HTR6DRD2KDM4EALDH1A1HTR1D
SCHEMBL3532568 0.83 HTR6 (0.47) HTR1AHTR6ADRA1AADRA1BHTR1B
SCHEMBL3532575 0.83 TP53 (0.41) HTR1AHTR7HTR6DRD2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 LTA4H 1818/4885HTR1A 3/4885HTR7 17/4885

“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.