SCHEMBL4381752

SCHEMBL4381752

N#Cc1cccc(C(O)CN2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.48
CASR P41180 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
GRM4 Q14833 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL4387357 0.81 ALDH1A1 (0.43) KDM4EALDH1A1CASRL3MBTL1SMN1; SMN2
SCHEMBL1460360 0.78 KDM4E (0.71) KDM4EGAAPOLBKMT2AMEN1
SCHEMBL23610052 0.78 KDM4E (0.71) KDM4EGAAPOLBKMT2AMEN1
SCHEMBL17835877 0.78 KDM4E (0.71) KDM4EGAAPOLBKMT2AMEN1
SCHEMBL2783127 0.73 ACHE (0.57) KDM4EALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL27598044 0.73 GRM5 (0.42) ALDH1A1CASRSMN1; SMN2
SCHEMBL6540746 0.73 S1PR1 (0.45) GRM4
SCHEMBL4697927 0.73 S1PR1 (0.45) GRM4
SCHEMBL8949484 0.73 GSK3B (0.49) ALDH1A1GRM4
SCHEMBL6481575 0.73 S1PR1 (0.45) GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 KDM4E 560/4885ALDH1A1 2105/4885CASR 139/4885

“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.