SCHEMBL494062

SCHEMBL494062

O=C(COC1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1)NC1CCC(C(CCc2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 3/20 0.36
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL493539 0.96 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL493237 0.94 ALDH1A1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL493407 0.90 FAAH (0.37) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL493490 0.90 ALDH1A1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL493389 0.89 MEN1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL492683 0.89 MEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL493190 0.87 POLB (0.38) MEN1KMT2AALDH1A1POLBATM
SCHEMBL493453 0.86 FAAH (0.38) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL493302 0.84 FAAH (0.39) ALDH1A1SMN1; SMN2POLBGAAATM
SCHEMBL493548 0.84 MEN1 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2ATM

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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD MEN1 4132/4885KMT2A 1749/4885ALDH1A1 1349/4885

“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.