SCHEMBL4015274

SCHEMBL4015274

COc1ccc(CNC(=O)NC2CCN(C(C)=O)CC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
EPHX1 P07099 1/20 0.57
ACHE P22303 1/20 0.54
BACE1 P56817 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
MCHR1 Q99705 3/20 0.50
CYP2C9 P11712 1/20 0.49
GFER P55789 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL4979498 0.88 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AEPHX1ACHE
SCHEMBL4012079 0.81 EPHX2 (0.56) ALDH1A1MEN1KMT2AEPHX1SMN1; SMN2
SCHEMBL6565619 0.78 SMN1; SMN2 (0.67) ALDH1A1MEN1KMT2AEPHX1SMN1; SMN2
SCHEMBL12653723 0.77 SMN1; SMN2 (0.52) MEN1KMT2AEPHX1SMN1; SMN2NPC1
SCHEMBL14263098 0.77 MEN1 (0.77) ALDH1A1MEN1KMT2AEPHX1SMN1; SMN2
SCHEMBL13074346 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ASMN1; SMN2CYP2C9
SCHEMBL4014107 0.77 EPHX2 (0.69) EPHX1SMN1; SMN2RAB9AMCHR1
SCHEMBL6103122 0.76 MEN1 (0.60) ALDH1A1MEN1KMT2AACHEBACE1
SCHEMBL12653724 0.76 TRPV1 (0.53) ALDH1A1MEN1KMT2AEPHX1SMN1; SMN2
SCHEMBL15242097 0.75 ACHE (0.62) ALDH1A1KMT2AACHEBACE1SMN1; 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 12 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
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
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
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
WO-2008112022-A1 4 -PI PERIDINYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-09-18 WO disclosed
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-18 US disclosed
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-18 US 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 ALDH1A1 334/4885MEN1 4861/4885KMT2A 4287/4885
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 ALDH1A1 603/4885MEN1 3797/4885KMT2A 3884/4885

“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.