SCHEMBL4089506

SCHEMBL4089506

CC(=O)NCC(=O)O[n+]1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.36
MTNR1B P49286 10/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.32
PPID Q08752 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TET2 Q6N021 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL5874277 0.78 KMT2A (0.30) KMT2A
SCHEMBL175986 0.75 ALDH1A1 (0.32) KMT2AALDH1A1KDM4E
SCHEMBL4661613 0.74 ELANE (0.35) KMT2AALDH1A1KDM4EHIF1A
SCHEMBL5874405 0.73 TSHR (0.32) KMT2A
Ammonia Solution, Strong SCHEMBL5844205 0.73 ALDH1A1 (0.31) KMT2AALDH1A1
SCHEMBL5874610 0.71 ALDH1A1 (0.44) L3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL8723536 0.70
SCHEMBL5875270 0.70 TSHR (0.37)
SCHEMBL5875252 0.70 TSHR (0.32) L3MBTL1
SCHEMBL1845257 0.70 TSHR (0.33) ALDH1A1MAPK1HIF1A

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 2 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 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 MTNR1A 3891/4885MTNR1B 3221/4885L3MBTL1 4632/4885

“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.