SCHEMBL2290416

SCHEMBL2290416

N#Cc1cccc(C(ON)C(=O)N2CCOCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MGLL Q99685 7/20 0.42
CASR P41180 1/20 0.41
DPP7 Q9UHL4 1/20 0.39
TNF P01375 1/20 0.38
PRKDC P78527 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2294348 0.82 TNF (0.47) ALDH1A1MGLLCASRTNFKMT2A
SCHEMBL4387357 0.73 ALDH1A1 (0.43) ALDH1A1CASRPRKDCL3MBTL1SMN1; SMN2
SCHEMBL12420246 0.73 ALB (0.42) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL29482202 0.71 L3MBTL1 (0.62) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL4381752 0.71 KDM4E (0.52) ALDH1A1CASRL3MBTL1MEN1KMT2A
SCHEMBL27598044 0.69 GRM5 (0.42) ALDH1A1MGLLCASRPRKDCSMN1; SMN2
SCHEMBL2783127 0.69 ACHE (0.57) ALDH1A1PRKDCL3MBTL1MEN1KMT2A
SCHEMBL12282147 0.67 KMT2A (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL18116486 0.66 GRM4 (0.54) ALDH1A1TNFMEN1KMT2A
SCHEMBL18920505 0.66 GRM4 (0.54) ALDH1A1TNFMEN1KMT2A

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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
EP-2164326-A1 AMIDE COMPOUNDS AND THE USE THEREOF Euro-Celtique, S.A. (LU) 2010-03-24 EP disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF CACNA1E, CACNA1B, CACNA1S ALDH1A1 1349/4885MGLL 2636/4885CASR 94/4885

“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.