SCHEMBL3945175

SCHEMBL3945175

O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 1.00
PIK3CA P42336 4/20 0.66
MTOR P42345 4/20 0.66
PIK3CG P48736 2/20 0.66
L3MBTL3 Q96JM7 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
HPGD P15428 3/20 0.61
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HTT P42858 2/20 0.61
NPC1 O15118 1/20 0.61
LMNA P02545 1/20 0.61
PHGDH O43175 1/20 0.59
MGLL Q99685 1/20 0.55
AKR1C3 P42330 1/20 0.54
PIK3R1 P27986 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL3937371 0.89 EPHX2 (1.00) EPHX2PIK3CAMTORPIK3CGL3MBTL3
SCHEMBL3937303 0.88 EPHX2 (0.77) EPHX2PIK3CAMTORPIK3CGHPGD
SCHEMBL4319942 0.84 EPHX2 (0.73) EPHX2PIK3CAMTORPIK3CGL3MBTL3
SCHEMBL32568 0.83 PIK3CA (0.93) EPHX2PIK3CAMTORPIK3CGPIK3R1
SCHEMBL3956569 0.80 EPHX2 (0.67) EPHX2PIK3CAMTORPIK3CGHPGD
SCHEMBL32299 0.80 PIK3CA (1.00) EPHX2PIK3CAMTORPIK3CGPIK3R1
SCHEMBL3936743 0.79 MAPT (0.79) EPHX2MAPTMGLL
SCHEMBL32309 0.79 PIK3CA (1.00) EPHX2PIK3CAMTORPIK3CGPIK3R1
SCHEMBL24709929 0.77 PIK3CA (0.85) EPHX2PIK3CAMTORPIK3CGPIK3R1
SCHEMBL1430604 0.77 PIK3CA (0.81) PIK3CAMTORPIK3CGPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046329-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-04-15 EP claimed
US-20080032978-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-02-07 US claimed
WO-2008016884-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-02-07 WO claimed
EP-2046329-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-04-15 EP disclosed
US-20080032978-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-02-07 US disclosed
WO-2008016884-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-02-07 WO disclosed
WO-2008016884-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-02-07 WO disclosed
US-20080032978-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-02-07 US disclosed
US-20080032978-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-02-07 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-20080032978-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 EPHX2 2/4885PIK3CA 3062/4885MTOR 2222/4885

“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.