SCHEMBL492978

SCHEMBL492978

O=C(COCCN(C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NC1CCC(CN2CCCCC2c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.37
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 3/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 7/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 3/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 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
SCHEMBL493513 0.98 ALDH1A1 (0.35) ACLYKMT2ASMN1; SMN2POLBGAA
SCHEMBL492598 0.91 ACLY (0.37) ACLYKMT2ASMN1; SMN2POLBGAA
SCHEMBL492977 0.89 BDKRB1 (0.36) ACLYKMT2ASMN1; SMN2POLBGAA
SCHEMBL493184 0.80 POLB (0.36) KMT2ASMN1; SMN2POLBGAAMEN1
SCHEMBL492976 0.79 ALDH1A1 (0.37) KMT2ASMN1; SMN2POLBGAAMEN1
SCHEMBL493592 0.77 ALDH1A1 (0.37) KMT2APOLBGAAMEN1ALDH1A1
SCHEMBL493414 0.77 BDKRB1 (0.41) SMN1; SMN2GAAALDH1A1DRD2DRD3
SCHEMBL492775 0.76 ALDH1A1 (0.37) KMT2ASMN1; SMN2POLBGAAMEN1
SCHEMBL493402 0.75 KMT2A (0.37) KMT2ASMN1; SMN2POLBMEN1ALDH1A1
SCHEMBL493311 0.74 BDKRB1 (0.41)

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 80/4885KMT2A 1749/4885SMN1; SMN2 1729/4885

“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.