SCHEMBL3539703

SCHEMBL3539703

NCCCOc1cccc2c(S(=O)(=O)c3ccccc3)nn(Cc3cccc(Cl)c3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
HTR6 P50406 5/20 0.40
BCHE P06276 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
HTR1B P28222 1/20 0.36
PTGER4 P35408 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CCR4 P51679 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL3532573 0.97 MAPT (0.41) MAPTTP53HTR6BCHEALDH1A1
SCHEMBL3532007 0.96 MAPT (0.40) MAPTTP53HTR6BCHEALDH1A1
SCHEMBL3532484 0.88 HTR6 (0.44) HTR6ALDH1A1KDM4EHTR2AHTR2C
SCHEMBL3532575 0.88 TP53 (0.41) MAPTTP53HTR6BCHEALDH1A1
SCHEMBL3539699 0.87 HTR6 (0.45) MAPTTP53HTR6BCHEALDH1A1
SCHEMBL3532453 0.86 LTA4H (0.44) HTR6ALDH1A1KDM4EHTR7HTR1B
SCHEMBL3535899 0.86 TP53 (0.43) MAPTTP53HTR6BCHEALDH1A1
SCHEMBL3529593 0.86 HTR6 (0.44) HTR6ALDH1A1KDM4EHTR2AHTR2C
SCHEMBL3532568 0.86 HTR6 (0.47) MAPTTP53HTR6BCHEHTR1B
SCHEMBL3532009 0.85 TP53 (0.40) MAPTTP53HTR6BCHEALDH1A1

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 4 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-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 MAPT 797/4885TP53 4880/4885HTR6 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.