SCHEMBL22975140

SCHEMBL22975140

N#C/C(=C\c1ccc2c(c1)CCCN2CCC(=O)NCCCCC(N)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.42
DNM1 Q05193 4/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
SMAD3 P84022 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 4/20 0.38
CHRM4 P08173 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38

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
SCHEMBL21248721 1.00 EGFR (0.42) EGFRDNM1ALDH1A1KMT2ALMNA
SCHEMBL22975141 0.93 CHRM2 (0.38) EGFRDNM1ALDH1A1KMT2ALMNA
SCHEMBL21264259 0.93 CHRM2 (0.38) EGFRDNM1ALDH1A1KMT2ALMNA
SCHEMBL21264263 0.92 CHRM2 (0.38) EGFRDNM1ALDH1A1KMT2ALMNA
SCHEMBL21248086 0.87 MAPT (0.38) EGFRALDH1A1KMT2ALMNAKDM4E
SCHEMBL21248087 0.87 MAPT (0.38) EGFRALDH1A1KMT2ALMNAKDM4E
SCHEMBL21264232 0.83 EGFR (0.36) EGFRDNM1ALDH1A1KMT2ALMNA
SCHEMBL21264234 0.83 EGFR (0.36) EGFRDNM1ALDH1A1KMT2ALMNA
SCHEMBL23010135 0.83 MAPT (0.35) EGFRDNM1ALDH1A1KMT2ALMNA
SCHEMBL21264171 0.83 MAPT (0.41) ALDH1A1KMT2ALMNAKDM4EMEN1

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-11168077-B2 Molecular rotor-based D-amino acids as tools for imaging peptidoglycan biosynthesis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-11-09 US disclosed
US-11168077-B2 Molecular rotor-based D-amino acids as tools for imaging peptidoglycan biosynthesis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-11-09 US disclosed
US-20210047308-A1 MOLECULAR ROTOR-BASED D-AMINO ACIDS AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-02-18 US disclosed
US-20210047308-A1 MOLECULAR ROTOR-BASED D-AMINO ACIDS AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-02-18 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-11168077-B2 Molecular rotor-based D-amino acids as tools for imaging peptidoglycan biosynthesis DDOST, DAD1, DAO EGFR 2179/4885DNM1 1252/4885ALDH1A1 4654/4885
US-20210047308-A1 MOLECULAR ROTOR-BASED D-AMINO ACIDS AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DDOST, DAD1, DAO EGFR 2179/4885DNM1 1252/4885ALDH1A1 4654/4885

“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.