SCHEMBL8046848

SCHEMBL8046848

NCCNC[C@@H](N)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC1A3 P43003 3/20 0.46
SLC1A1 P43005 3/20 0.46
HTT P42858 1/20 0.44
SLC1A2 P43004 2/20 0.44
IDO1 P14902 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LTA4H P09960 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL8256163 1.00 KMT2A (0.46) KMT2ASLC6A2SLC6A3TDP1SLC1A3
SCHEMBL5555264 0.89 KMT2A (0.53) KMT2ASLC6A2SLC6A3TDP1SLC1A3
SCHEMBL28753712 0.82 SLC15A1 (0.48) KMT2ASLC6A2SLC6A3TDP1SLC1A3
SCHEMBL8695483 0.80 ALDH1A1 (0.51) KMT2ASLC6A2SLC6A3TDP1SLC1A3
SCHEMBL4622400 0.80 LTA4H (0.52) KMT2ASLC6A2SLC6A3TDP1SLC1A3
SCHEMBL20335061 0.80 LTA4H (0.52) KMT2ASLC6A2SLC6A3TDP1SLC1A3
SCHEMBL27613764 0.80 ALDH1A1 (0.48) KMT2ASLC6A2SLC6A3TDP1SLC1A3
SCHEMBL7012123 0.80 ALDH1A1 (0.50) KMT2ASLC6A2SLC6A3TDP1SLC1A3
SCHEMBL2219385 0.79 ALDH1A1 (0.53) KMT2ASLC6A2SLC6A3TDP1SLC1A3
SCHEMBL22535886 0.79 ALDH1A1 (0.53) KMT2ASLC6A2SLC6A3TDP1SLC1A3

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-7238341-B2 Peptide-based multimeric targeted contrast agents EPIX PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
US-20050074411-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. A DELAWARE CORPORATION 2005-04-07 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-20050074411-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA KMT2A 4290/4885SLC6A2 3241/4885SLC6A3 3296/4885

“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.