Sugi Predict

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SCHEMBL3899516

SCHEMBL3899516

COc1ccc(S(=O)(=O)c2ccnc3[nH]cc(CCN(C)C)c23)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.43
▸ HTR6 P50406 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTR7 P34969 1/20 0.39
▸ HTR5A P47898 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3889087 0.87 HTR2A (0.43) HTR1AHTR6KMT2APOLBHTR7
SCHEMBL3889634 0.85 HTR2A (0.44) HTR1AHTR6KMT2AHTR7HTR5A
SCHEMBL3887376 0.79 HTR1D (0.41) HTR1AHTR6MEN1KMT2AHTR7
SCHEMBL25292886 0.78 HTR6 (0.59) HTR1AHTR6HTR7HTR5AHTR2A
SCHEMBL30565963 0.78 HTR6 (0.59) HTR1AHTR6HTR7HTR5AHTR2A
SCHEMBL30565961 0.78 HTR6 (0.59) HTR1AHTR6HTR7HTR5AHTR2A
Hydrochloric Acid SCHEMBL31211621 0.77 HTR6 (0.58) HTR1AHTR6HTR7HTR5AHTR2A
Hydrochloric Acid SCHEMBL25288264 0.77 HTR6 (0.58) HTR1AHTR6HTR7HTR5AHTR2A
SCHEMBL5658530 0.72 FGFR4 (0.39) KMT2ASLC6A2HTR2A
SCHEMBL25286094 0.69 HTR6 (0.45) HTR1AHTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 — — US disclosed
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-05-15 — — US disclosed
US-7297705-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-20 — — US disclosed
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 — — US disclosed
US-6800640-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-10-05 — — US disclosed
US-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 — — 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-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR1A 3/4885HTR6 1/4885MAPK1 2148/4885
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR7 HTR1A 5/4885HTR6 1/4885MAPK1 2857/4885
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR7 HTR1A 5/4885HTR6 1/4885MAPK1 2857/4885

“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.