SCHEMBL3409971

SCHEMBL3409971

CN1CCN(C2(Cc3ccccc3)CCC(CN(C)C(=O)COC3CCCN(S(=O)(=O)c4c(Cl)cc(Cl)cc4Cl)C3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
ACLY P53396 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
BCHE P06276 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL3409897 0.88 CHRM5 (0.36) ALDH1A1POLBMEN1KMT2ATHRB
SCHEMBL3408537 0.84 PSEN1 (0.36) ALDH1A1POLBPSEN1PSEN2APH1B
SCHEMBL3405424 0.84 BDKRB1 (0.36) ALDH1A1POLBTHRB
SCHEMBL3408446 0.82 PSEN1 (0.36) ALDH1A1POLBACLYPSEN1PSEN2
SCHEMBL3405269 0.80 BDKRB1 (0.40) ALDH1A1POLB
SCHEMBL3412698 0.78 PSEN1 (0.36) ALDH1A1POLBPSEN1PSEN2APH1B
SCHEMBL3413312 0.78 BDKRB1 (0.36) ALDH1A1POLBMEN1KMT2ATHRB
SCHEMBL3409752 0.77 PSEN1 (0.35) ALDH1A1POLBACLYPSEN1PSEN2
SCHEMBL3405432 0.75 BDKRB1 (0.39) ALDH1A1POLB
SCHEMBL5126115 0.74 EPHX2 (0.43) ALDH1A1ACLY

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
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP claimed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US claimed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO claimed
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 863/4885POLB 2576/4885ACLY 1027/4885

“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.