SCHEMBL4519653

SCHEMBL4519653

CN(C)N(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD11B1 P28845 1/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.46
ADRA2C P18825 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NR1H3 Q13133 2/20 0.42
NR1H2 P55055 1/20 0.42
NR3C2 P08235 1/20 0.42
MLYCD O95822 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42

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
SCHEMBL27338414 0.87 KMT2A (0.44) KMT2AKDM4ERAB9AL3MBTL1TDP1
SCHEMBL8779740 0.80 NPSR1 (0.46) KMT2AKDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL7827161 0.78 NPSR1 (0.44) KMT2AKDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL493114 0.78 KMT2A (0.75) KMT2AKDM4ERAB9ANPC1HTT
SCHEMBL6800441 0.78 STS (0.57)
SCHEMBL9545529 0.77 ALDH1A1 (0.50) KMT2AKDM4ERAB9AL3MBTL1TDP1
SCHEMBL8180478 0.77 MLYCD (0.49) KMT2AKDM4ERAB9AL3MBTL1TDP1
SCHEMBL11741101 0.77 NPSR1 (0.43) KMT2AKDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL126163 0.77 RAB9A (0.44) KMT2AKDM4ERAB9AL3MBTL1TDP1
SCHEMBL7827159 0.77 NPSR1 (0.43) KMT2AKDM4ERAB9ASMN1; SMN2HPGD

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-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 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-20080058331-A1 Inhibitors for GlyT-1 GLRA1, SLC1A2, AGXT KMT2A 218/4885KDM4E 1690/4885RAB9A 3773/4885

“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.