SCHEMBL4083187

SCHEMBL4083187

O=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)N2CCOCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 3/20 0.58
HTT P42858 3/20 0.58
NPC1 O15118 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
LMNA P02545 1/20 0.58
EPHX2 P34913 6/20 0.57
RAB9A P51151 3/20 0.55
GBA1 P04062 1/20 0.55
PIK3CA P42336 1/20 0.54
MTOR P42345 1/20 0.54
PIK3CG P48736 1/20 0.54
CNR1 P21554 2/20 0.52
KDM4E B2RXH2 1/20 0.51
TP53 P04637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PHGDH O43175 1/20 0.49
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
SCHEMBL4093244 0.87 EPHX2 (0.67) EPHX2KDM4E
SCHEMBL4092627 0.81 EPHX2 (0.60) MAPTHTTLMNAEPHX2RAB9A
SCHEMBL3937303 0.80 EPHX2 (0.77) SMN1; SMN2MAPTHTTNPC1ALDH1A1
SCHEMBL3943499 0.79 EPHX2 (0.80) SMN1; SMN2MAPTHTTNPC1ALDH1A1
SCHEMBL4084025 0.78 HPGD (0.60) SMN1; SMN2MAPTHTTNPC1ALDH1A1
SCHEMBL27769249 0.76 EPHX2 (0.66) SMN1; SMN2MAPTHTTNPC1ALDH1A1
SCHEMBL3239132 0.76 HTR2C (0.54) SMN1; SMN2NPC1ALDH1A1HPGDRAB9A
SCHEMBL13903425 0.74 HTR2C (0.42) SMN1; SMN2NPC1ALDH1A1RAB9ATP53
SCHEMBL23733151 0.74 HTR1F (0.58) SMN1; SMN2NPC1LMNAEPHX2RAB9A
SCHEMBL3936624 0.73 EPHX2 (1.00) SMN1; SMN2MAPTHTTNPC1ALDH1A1

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-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US claimed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
WO-2009035949-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 WO disclosed
WO-2009035949-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 WO 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-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 SMN1; SMN2 4619/4885MAPT 4780/4885HTT 4595/4885

“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.