SCHEMBL493102

SCHEMBL493102

O=C(COCCN(C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NC1CCC(C(NCCc2ccccc2)c2ccccc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
ESR2 Q92731 1/20 0.33
ABCB1 P08183 2/20 0.32
MCHR1 Q99705 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
SLC6A12 P48065 1/20 0.31
SMYD3 Q9H7B4 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL493938 0.91 BDKRB1 (0.36) L3MBTL1ALDH1A1SIGMAR1MCHR1TDP1
SCHEMBL493100 0.85 ALDH1A1 (0.35) L3MBTL1ALDH1A1POLBHPGDMAPT
SCHEMBL492775 0.84 ALDH1A1 (0.37) L3MBTL1ALDH1A1POLBHPGDMAPT
SCHEMBL493184 0.82 POLB (0.36) L3MBTL1ALDH1A1POLBHPGDMAPT
SCHEMBL492976 0.81 ALDH1A1 (0.37) L3MBTL1ALDH1A1POLBHPGDMAPT
SCHEMBL493402 0.80 KMT2A (0.37) L3MBTL1ALDH1A1POLBHPGDMAPT
SCHEMBL493531 0.77 BDKRB1 (0.38) L3MBTL1ALDH1A1POLBHPGDMAPT
SCHEMBL492815 0.76 BDKRB1 (0.36) L3MBTL1ALDH1A1POLBHPGDMAPT
SCHEMBL493592 0.74 ALDH1A1 (0.37) ALDH1A1POLBHPGDMAPTMAPK1
SCHEMBL493180 0.74 L3MBTL1 (0.36) L3MBTL1ALDH1A1POLBHPGDMAPT

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 L3MBTL1 4753/4885ALDH1A1 1349/4885POLB 2120/4885

“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.