SCHEMBL13754757

SCHEMBL13754757

O=S(=O)(c1ccccc1)c1c[nH]c2ccc(N3CCNCC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.60
PARP1 P09874 2/20 0.49
HTR1A P08908 2/20 0.45
HTR7 P34969 2/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR3E A5X5Y0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
HTR3B O95264 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR2C P28335 1/20 0.43
MAPK1 P28482 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTT P42858 1/20 0.43
HTR3A P46098 1/20 0.43
PMP22 Q01453 1/20 0.43

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
Hydrochloric Acid SCHEMBL4483599 0.99 HTR6 (0.59) HTR6PARP1HTR1AHTR7DRD2
SCHEMBL3323296 0.83 CASP1 (0.45) HTR6DRD2HTR2AHTR3EKDM4E
SCHEMBL4479103 0.81 HTR6 (0.57) HTR6PARP1
SCHEMBL4495711 0.79 PARP1 (0.49) HTR6PARP1HTR1AHTR7DRD2
SCHEMBL4484257 0.77 HTR6 (0.50) HTR6PARP1HTR1AHTR7DRD2
SCHEMBL4495125 0.76 HTR1F (0.46) HTR6PARP1HTR1AHTR2AKDM4E
SCHEMBL4483744 0.76 PARP1 (0.46) HTR6PARP1HTR1AHTR7HTR2A
SCHEMBL3322227 0.75 HTR6 (1.00) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL5201164 0.75 HTR6 (0.62) HTR6
Hydrochloric Acid SCHEMBL5763877 0.74 HTR6 (0.98) HTR6HTR1AHTR7DRD2HTR2A

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-7576087-B2 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-08-18 US disclosed
US-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-01-17 US disclosed
US-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 US disclosed
US-7259165-B2 Heterocyclyl-3-sulfonylazaindole or-azaindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-08-21 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-20080015201-A1 Heterocyclyl-3-sulfonylazaindole or -azaindazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HTR6 1/4885PARP1 4027/4885HTR1A 6/4885

“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.