SCHEMBL1775414

SCHEMBL1775414

COc1cc(N(OC)S(=O)(=O)c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)nccc3s2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.41
MALT1 Q9UDY8 2/20 0.41
SUV39H2 Q9H5I1 12/20 0.40
TLR7 Q9NYK1 1/20 0.40
ALK Q9UM73 2/20 0.37
KIT P10721 1/20 0.37
PGK1 P00558 1/20 0.37

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
SCHEMBL1775413 0.81 MALT1 (0.48) TLR9MALT1SUV39H2ALKKIT
SCHEMBL1777001 0.76 KIT (0.42) TLR9TLR7KIT
SCHEMBL1776091 0.73 TLR9 (0.45) TLR9TLR7ALKKIT
SCHEMBL1775510 0.73 ACHE (0.48) TLR9TLR7ALKKIT
SCHEMBL1774426 0.73 GBA1 (0.43) TLR9TLR7KIT
SCHEMBL5063132 0.73 KIT (0.42) TLR9TLR7KIT
SCHEMBL1776820 0.73 MEN1 (0.47) TLR9TLR7KIT
SCHEMBL1775118 0.73 KIT (0.48) KIT
SCHEMBL1776534 0.72 MAPT (0.39) TLR9TLR7KIT
Hydrochloric Acid SCHEMBL6425045 0.72 HTR6 (0.37) MALT1SUV39H2KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US disclosed
EP-1897881-A2 Compounds useful for the treatment of obesity, type II diabetes and CNS disorders Biovitrum AB (publ) (SE) 2008-03-12 EP disclosed
US-20040024210-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 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 (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-20040024210-A1 New compounds SULT1E1, SULT2A1, SULT1A1 TLR9 3686/4885MALT1 2170/4885SUV39H2 3768/4885

“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.