SCHEMBL492646

SCHEMBL492646

O=C(COC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1)NC1CCC(Cc2ccccc2N2CCOCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
KRAS P01116 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.35
ACLY P53396 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
SCHEMBL493760 0.85 PKM (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL493066 0.81 RAB9A (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL492643 0.81 MEN1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL493539 0.80 MEN1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL493014 0.79 LMNA (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL492683 0.77 MEN1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL493757 0.76 KMT2A (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL494062 0.76 MEN1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL492856 0.75 SMN1; SMN2 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3408508 0.74 OPRM1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA

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-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 ALDH1A1 1349/4885MEN1 4132/4885KMT2A 1749/4885

“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.