SCHEMBL3533702

SCHEMBL3533702

NCCCCOc1ccc2[nH]nc(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.47
MAPK8 P45983 1/20 0.44
F2 P00734 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR1A P08908 5/20 0.42
HTR1D P28221 5/20 0.42
HTR1B P28222 5/20 0.42
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
P2RY12 Q9H244 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ABCB1 P08183 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL3530478 1.00 TTK (0.47) TTKMAPK8F2SIGMAR1HTR1A
SCHEMBL3535199 0.93 TTK (0.48) TTKMAPK8HTR1AHTR1DHTR1B
SCHEMBL3531858 0.84 HTR6 (0.52) TTKMAPK8KDM4ECYP1A2CYP3A4
SCHEMBL3532700 0.83 HTR6 (0.46) TTKMAPK8SIGMAR1HTR1DKDM4E
SCHEMBL3532183 0.83 TTK (0.44) TTKMAPK8F2HTR1DHTR1B
SCHEMBL3532214 0.81 HTR6 (0.43) TTKHTR1AHTR1DHTR1BCYP1A2
SCHEMBL3532475 0.81 LTA4H (0.49) MAPK8
SCHEMBL3534705 0.81 TTK (0.45) TTKMAPK8SIGMAR1HTR1DCYP1A2
SCHEMBL3531350 0.81 TTK (0.45) TTKMAPK8F2ABCB1MAPK1
SCHEMBL3530474 0.81 HTR1A (0.46) TTKMAPK8HTR1AHTR1DHTR1B

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 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
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 TTK 4270/4885MAPK8 2025/4885F2 3934/4885

“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.