SCHEMBL3899476

SCHEMBL3899476

NCCc1cn(S(=O)(=O)c2cc(Cl)ccc2Cl)c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.50
HTR6 P50406 13/20 0.49
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
GRM4 Q14833 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL3887209 0.91 HTR6 (0.47) METHTR6HTR2AHTR2CHTR7
SCHEMBL3886630 0.89 HTR6 (0.49) HTR6HTR2AHTR2CHTR7
SCHEMBL3896698 0.88 HTR6 (0.50) METHTR6
SCHEMBL3894879 0.87 HTR6 (0.48) HTR6HTR2AHTR2CHTR7ALDH1A1
SCHEMBL3886942 0.84 HTR6 (0.47) HTR6HTR2AHTR2CHTR7
SCHEMBL3888250 0.84 HTR6 (0.67) HTR6HTR2AHTR2CHTR7
SCHEMBL3890030 0.83 HTR6 (0.69) METHTR6HTR2AHTR2CHTR7
SCHEMBL3893909 0.83 HTR6 (0.69) HTR6HTR2AHTR2CHTR7
SCHEMBL3889155 0.83 MET (0.49) METHTR6HTR2AHTR2CHTR7
SCHEMBL3886893 0.83 HTR6 (0.56) HTR6HTR2AHTR2CHTR7

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 MET 1112/4885HTR6 1/4885HTR2A 4/4885
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR7 MET 1267/4885HTR6 1/4885HTR2A 4/4885
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR7 MET 1267/4885HTR6 1/4885HTR2A 4/4885

“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.