SCHEMBL8424587

SCHEMBL8424587

COC(=O)N(C)CCc1ccc2[nH]nc(S)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
NTRK1 P04629 3/20 0.35
KMT2A Q03164 3/20 0.34
ATM Q13315 1/20 0.34
HIF1A Q16665 2/20 0.34
KDM4E B2RXH2 1/20 0.34
STAT3 P40763 1/20 0.34
CDK8 P49336 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
LMNA P02545 2/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
ACHE P22303 1/20 0.33
PARP1 P09874 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CDK2 P24941 1/20 0.33
TTK P33981 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
SCHEMBL8424448 0.81 ITK (0.44) NTRK1
SCHEMBL13544605 0.80 ALDH1A1 (0.42) KMT2AHIF1AKDM4ELMNAALDH1A1
SCHEMBL13544771 0.79 MAPT (0.39) KMT2AKDM4ELMNAALDH1A1MAPT
SCHEMBL3530143 0.79 TTK (0.39) ROCK2ROCK1KMT2AATMHIF1A
SCHEMBL8424733 0.76 PARP1 (0.43) NTRK1PARP1
SCHEMBL8424226 0.72 MAPT (0.42) NTRK1KMT2AATMHIF1AKDM4E
SCHEMBL8423849 0.71 PDE3B (0.41) NTRK1KDM4EGSK3BALDH1A1MAPT
SCHEMBL8424834 0.70 HTR1A (0.41)
SCHEMBL8424751 0.70 PDE3B (0.41) NTRK1GSK3BACHE
SCHEMBL9485040 0.69 SMN1; SMN2 (0.41) NTRK1KMT2AGSK3BALDH1A1MAPT

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 2 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
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 ROCK2 3319/4885ROCK1 2469/4885NTRK1 209/4885

“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.