SCHEMBL5558360

SCHEMBL5558360

NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.69
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
MPO P05164 1/20 0.64
MAPT P10636 1/20 0.64
TSHR P16473 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
KMT2A Q03164 1/20 0.64
HIF1A Q16665 1/20 0.64
ACE P12821 2/20 0.59
GHSR Q92847 1/20 0.58
HPGDS O60760 1/20 0.58
CTSC P53634 1/20 0.55
NPY1R P25929 1/20 0.55
NPY2R P49146 1/20 0.55
NPY4R P50391 1/20 0.55

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
SCHEMBL30291268 1.00 ECE1 (0.69) ECE1KDM4EMEN1LMNAMPO
SCHEMBL30799684 0.93 ECE1 (0.64) ECE1
SCHEMBL13725698 0.93 ECE1 (0.64) ECE1
SCHEMBL31722484 0.93 KDM4E (0.62) ECE1KDM4EMEN1LMNAMPO
SCHEMBL22133113 0.93 ECE1 (0.64) ECE1
SCHEMBL31748032 0.93 ECE1 (0.66) ECE1KDM4EMEN1LMNAMPO
Hydrochloric Acid SCHEMBL8982603 0.92 KDM4E (0.60) ECE1KDM4EMEN1LMNAMPO
SCHEMBL31606512 0.92 ECE1 (0.65) ECE1KDM4EMEN1LMNAMPO
SCHEMBL31436156 0.92 KDM4E (0.60) ECE1KDM4EMEN1LMNAMPO
SCHEMBL5583839 0.90 ACE (0.72) ECE1KDM4EMEN1LMNAMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF ECE1 1086/4885KDM4E 3630/4885MEN1 3362/4885

“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.