SCHEMBL492598

SCHEMBL492598

CN(CCOCC(=O)NC1CCC(CN2CCCCC2c2ccccc2)CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
BDKRB1 P46663 4/20 0.35
SLC9A3 P48764 2/20 0.35
LMNA P02545 3/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL492977 0.98 BDKRB1 (0.36) ACLYALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL492978 0.91 ACLY (0.37) ACLYALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL493513 0.89 ALDH1A1 (0.35) ACLYALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL493414 0.85 BDKRB1 (0.41) ALDH1A1SMN1; SMN2GAABDKRB1
SCHEMBL493311 0.83 BDKRB1 (0.41) BDKRB1
SCHEMBL492975 0.80 CACNA2D1 (0.37) ALDH1A1TDP1SMN1; SMN2MEN1POLB
SCHEMBL3412474 0.79 L3MBTL1 (0.38) ALDH1A1TDP1SMN1; SMN2MEN1POLB
SCHEMBL492596 0.79 ALDH1A1 (0.37) ALDH1A1TDP1SMN1; SMN2MEN1POLB
SCHEMBL493014 0.79 LMNA (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ASLC9A3
SCHEMBL3406387 0.79 ALDH1A1 (0.37) ALDH1A1TDP1SMN1; SMN2MEN1POLB

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 4 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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 (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 ACLY 80/4885ALDH1A1 1349/4885TDP1 3893/4885

“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.