SCHEMBL4017204

SCHEMBL4017204

O=C(NC1CCCCC1)NC1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
RAB9A P51151 1/20 0.56
LMNA P02545 2/20 0.55
ALDH1A1 P00352 3/20 0.55
EPHX2 P34913 7/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTT P42858 1/20 0.54
CNR2 P34972 1/20 0.54

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
SCHEMBL4120462 0.87 LMNA (0.70) KMT2AMEN1LMNAALDH1A1EPHX2
SCHEMBL13651522 0.81 LMNA (0.67) LMNAALDH1A1EPHX2HTT
SCHEMBL4307015 0.79 RAB9A (0.74) KMT2AMEN1RAB9ALMNAALDH1A1
SCHEMBL4307011 0.79 RAB9A (0.74) KMT2AMEN1RAB9ALMNAALDH1A1
SCHEMBL14848178 0.79 SMN1; SMN2 (0.53) KMT2AMEN1POLBGAASMN1; SMN2
SCHEMBL4009897 0.78 CNR1 (0.65) KMT2ASMN1; SMN2LMNAEPHX2HTT
SCHEMBL493045 0.76 POLB (0.72) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL494192 0.74 KDM4E (0.74) KMT2AMEN1POLBSMN1; SMN2RAB9A
SCHEMBL14847757 0.74 RAB9A (0.55) POLBRAB9ALMNA
SCHEMBL14056022 0.74 RAB9A (0.66) KMT2AMEN1POLBGAASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US claimed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-18 US claimed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-18 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 (2 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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION EPHX1, ECE1, LIPG KMT2A 4287/4885MEN1 4861/4885POLB 3699/4885
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 KMT2A 3884/4885MEN1 3797/4885POLB 2485/4885

“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.