SCHEMBL4120462

SCHEMBL4120462

O=C(NC1CCCCC1)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.70
KMT2A Q03164 4/20 0.67
MEN1 O00255 2/20 0.67
ALDH1A1 P00352 4/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
EPHX2 P34913 8/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MAPT P10636 1/20 0.60
NPY1R P25929 1/20 0.60
NPY2R P49146 1/20 0.60
MAPK1 P28482 1/20 0.59

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
SCHEMBL4017204 0.87 KMT2A (0.60) LMNAKMT2AMEN1ALDH1A1EPHX2
SCHEMBL4012091 0.82 LMNA (0.53) LMNAKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL3959599 0.81 KMT2A (0.80) LMNAKMT2AMEN1ALDH1A1CYP2C19
SCHEMBL612863 0.80 KMT2A (0.77) LMNAKMT2AMEN1ALDH1A1EPHX2
SCHEMBL13651513 0.80 LMNA (0.67) LMNAKMT2AMEN1ALDH1A1EPHX2
SCHEMBL3965492 0.80 MEN1 (0.62) LMNAKMT2AMEN1ALDH1A1CYP2C19
SCHEMBL5243682 0.79 KMT2A (0.78) KMT2AMEN1ALDH1A1EPHX2
SCHEMBL5243125 0.79 KMT2A (0.78) KMT2AMEN1ALDH1A1EPHX2
SCHEMBL5244903 0.79 KMT2A (0.78) KMT2AMEN1ALDH1A1EPHX2
SCHEMBL4015609 0.78 EPHX1 (0.76) KMT2AMEN1EPHX2NPSR1MAPT

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 10 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
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-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 LMNA 2489/4885KMT2A 4287/4885MEN1 4861/4885
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 LMNA 2479/4885KMT2A 3884/4885MEN1 3797/4885

“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.