SCHEMBL492976

SCHEMBL492976

O=C(COCCN(C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NC1CCC(C(c2ccccc2)N2CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 4/20 0.37
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 3/20 0.35
GAA P10253 2/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
LMNA P02545 4/20 0.34
HPGD P15428 2/20 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
SCHEMBL493184 0.99 POLB (0.36) ALDH1A1KMT2ATDP1SMN1; SMN2POLB
SCHEMBL493402 0.93 KMT2A (0.37) ALDH1A1KMT2ASMN1; SMN2POLBMEN1
SCHEMBL492596 0.91 ALDH1A1 (0.37) ALDH1A1KMT2ATDP1SMN1; SMN2POLB
SCHEMBL492975 0.90 CACNA2D1 (0.37) ALDH1A1KMT2ATDP1SMN1; SMN2POLB
SCHEMBL492775 0.84 ALDH1A1 (0.37) ALDH1A1KMT2ASMN1; SMN2POLBMEN1
SCHEMBL493117 0.84 CACNA2D1 (0.42) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL493360 0.84 LMNA (0.39) ALDH1A1TDP1SMN1; SMN2GAALMNA
SCHEMBL492867 0.84 BDKRB1 (0.39) ALDH1A1KMT2ATDP1SMN1; SMN2POLB
SCHEMBL493013 0.84 MEN1 (0.37) KMT2ASMN1; SMN2MEN1CNR2L3MBTL1
SCHEMBL493689 0.83 CACNA2D1 (0.37) ALDH1A1KMT2ATDP1SMN1; SMN2POLB

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 ALDH1A1 1349/4885KMT2A 1749/4885TDP1 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.