SCHEMBL3949552

SCHEMBL3949552

O=S(=O)(c1cccc2ccccc12)c1n[nH]c2c(N3CCNCC3)cccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.65
HTR2B P41595 5/20 0.55
HTR1A P08908 3/20 0.55
HTR7 P34969 2/20 0.55
DRD2 P14416 4/20 0.53
HTR2C P28335 4/20 0.53
HTR1D P28221 2/20 0.53
HTR1B P28222 2/20 0.53
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
NCF1 P14598 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
HTR2A P28223 1/20 0.52
MTOR P42345 1/20 0.52
HTR3A P46098 1/20 0.52
HTR5A P47898 1/20 0.52
HTR3D Q70Z44 1/20 0.52

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
SCHEMBL3951495 0.96 HTR6 (0.60) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL4484003 0.89 HTR6 (0.58) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL4486693 0.88 HTR2C (0.54) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL3956519 0.88 HTR6 (0.52) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL3953147 0.85 HTR6 (0.56) HTR6HTR1AHTR7DRD2HTR2A
SCHEMBL8432230 0.84 HTR6 (0.69) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL3949170 0.84 HTR6 (0.56) HTR6HTR2BHTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL4140951 0.84 HTR6 (0.67) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL3956013 0.81 HTR6 (0.52) HTR6HTR1AHTR7DRD2NCF1
SCHEMBL4492526 0.80 HTR6 (0.61) HTR6HTR2BHTR1AHTR7DRD2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238696-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-07-03 US claimed
US-20040167122-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH 2004-08-26 US claimed
US-20090253711-A1 HETEROCYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2009-10-08 US disclosed
US-7560470-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-07-14 US disclosed
US-20070232618-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-10-04 US disclosed
US-7238696-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-07-03 US disclosed
US-20040167122-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH 2004-08-26 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 (3 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-20070232618-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands HTR6, HTR2C, HTR3B HTR6 1/4885HTR2B 14/4885HTR1A 6/4885
US-20090253711-A1 HETEROCYCLYL-3-SULFONYLINDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR2C, HTR3B HTR6 1/4885HTR2B 14/4885HTR1A 6/4885
US-20040167122-A1 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands HTR6, HTR1A, HTR2C HTR6 1/4885HTR2B 16/4885HTR1A 2/4885

“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.