SCHEMBL4955854

SCHEMBL4955854

CC(N)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
ATM Q13315 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
ALPI P09923 1/20 0.46

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
SCHEMBL15670940 0.85 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL15812399 0.85 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL1701279 0.84 KMT2A (0.76) MEN1KMT2ALMNAALDH1A1POLB
Carbamic Acid SCHEMBL7116890 0.83 KMT2A (0.69) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL7320870 0.82 MEN1 (0.50) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL27171238 0.81 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL5403330 0.81 MEN1 (0.53) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL7996485 0.81 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL347067 0.81 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL838272 0.81 MEN1 (0.57) MEN1KMT2ALMNAALDH1A1POLB

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-20080081789-A1 BETA PEPTOIDS WITH ANTIMICROBIAL ACTIVITY SHUEY STEVEN W 2008-04-03 US disclosed
US-7307061-B2 β-peptoids with antimicrobial activity E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-12-11 US disclosed
US-20060160735-A1 Beta-peptoids with antimicrobial activity DUPONT US HOLDING, LLC 2006-07-20 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 (2 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-20080081789-A1 BETA PEPTOIDS WITH ANTIMICROBIAL ACTIVITY PEPD, VIP, CLPP MEN1 2815/4885KMT2A 4860/4885LMNA 3501/4885
US-20060160735-A1 Beta-peptoids with antimicrobial activity VIP, PEPD, PREP MEN1 2966/4885KMT2A 4862/4885LMNA 3447/4885

“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.