SCHEMBL2604882

SCHEMBL2604882

CN(CCO)c1ccc(/C=C/c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.51
CYBB P04839 2/20 0.48
NOX4 Q9NPH5 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.45
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
KLF5 Q13887 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
GRM5 P41594 1/20 0.43
APP P05067 4/20 0.43
MAPT P10636 1/20 0.41
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1B1 Q16678 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL4142559 0.87 MEN1 (0.46) RELAL3MBTL1CYBBNOX4KMT2A
Benzaldehyde SCHEMBL28092165 0.86 L3MBTL1 (0.52) RELAL3MBTL1CYBBNOX4CTDSP1
SCHEMBL4151606 0.84 NOX1 (0.43) RELAL3MBTL1CYBBNOX4KMT2A
SCHEMBL2604912 0.83 NFE2L2 (0.54) RELANPC1RAB9ANOX1APP
SCHEMBL17678725 0.83 MEN1 (0.46) RELAL3MBTL1CYBBNOX4KMT2A
SCHEMBL2604929 0.83 NPC1 (0.61) RELAL3MBTL1CYBBNOX4KMT2A
SCHEMBL56003 0.82 L3MBTL1 (0.57) L3MBTL1CYBBNOX4KMT2ANPC1
SCHEMBL25194276 0.82 MAPT (0.61) RELAL3MBTL1KMT2ANPC1RAB9A
SCHEMBL15218331 0.82 MAPT (0.61) RELAL3MBTL1KMT2ANPC1RAB9A
SCHEMBL2604913 0.81 RELA (0.52) RELAL3MBTL1CTDSP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 US disclosed
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 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-20100279340-A1 Imaging agents for protein misfolding APBA1, APP, SPG11 RELA 2359/4885L3MBTL1 4003/4885CYBB 2826/4885

“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.