SCHEMBL4072125

SCHEMBL4072125

O=S(=O)(c1ccccc1)c1nn(C2CCCN(Cc3ccccc3)C2)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.67
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CHRM3 P20309 1/20 0.42
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
HTR2A P28223 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP2C9 P11712 1/20 0.40
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39

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
SCHEMBL4071386 0.94 HTR6 (0.66) HTR6CHRM3HTR2A
SCHEMBL4066105 0.87 HTR6 (0.64) HTR6ALDH1A1HTR2AKDM4E
SCHEMBL4068728 0.80 HTR6 (1.00) HTR6
SCHEMBL4074677 0.74 HTR6 (0.60) HTR6CYP3A4
SCHEMBL4074731 0.73 HTR6 (1.00) HTR6
SCHEMBL2277387 0.73 JAK2 (0.50) HTR6ALDH1A1JAK2JAK1HPGD
SCHEMBL659616 0.72 HTR6 (0.48) HTR6CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL4074283 0.72 HTR6 (0.62) HTR6
SCHEMBL5783466 0.69 CNR2 (0.48) HTR6CYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL4423264 0.69 ALDH1A1 (0.60) HTR6CYP2D6CYP1A2CYP3A4CYP2C19

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-7589108-B2 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-15 US disclosed
US-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-09 US disclosed
US-6995176-B2 1-heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2006-02-07 US disclosed
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands WYETH 2004-02-05 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 (2 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-20060030593-A1 1-Heterocyclylalkyl-3-sulfonylindole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR5A HTR6 1/4885CYP2D6 221/4885CYP1A2 488/4885
US-20040024023-A1 1-Heterocyclylalkyl-3-sulfonyl-indole or -indazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3A, HTR1A HTR6 1/4885CYP2D6 247/4885CYP1A2 576/4885

“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.