Sugi Predict

Sugi Predict / Compounds / SCHEMBL22975141

SCHEMBL22975141

SCHEMBL22975141

N#CC(C#N)=Cc1ccc2c(c1)CCCN2CCC(=O)NCCCC[C@@H](N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 12/20 0.38
▸ CHRM4 P08173 11/20 0.38
▸ CHRM1 P11229 11/20 0.38
▸ CHRM3 P20309 10/20 0.38
▸ EGFR P00533 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35

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
SCHEMBL21264259 1.00 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3EGFR
SCHEMBL22975140 0.93 EGFR (0.42) CHRM2CHRM4CHRM1CHRM3EGFR
SCHEMBL21248721 0.93 EGFR (0.42) CHRM2CHRM4CHRM1CHRM3EGFR
SCHEMBL21264263 0.93 CHRM2 (0.38) CHRM2CHRM4CHRM1CHRM3EGFR
SCHEMBL23010382 0.87 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL21264172 0.87 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL22975136 0.87 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL21264171 0.82 MAPT (0.41) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL21248087 0.81 MAPT (0.38) CHRM2CHRM4CHRM1CHRM3EGFR
SCHEMBL21248086 0.81 MAPT (0.38) CHRM2CHRM4CHRM1CHRM3EGFR

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 CHRM2 4872/4885CHRM4 4782/4885CHRM1 4835/4885
US-20210047308-A1 MOLECULAR ROTOR-BASED D-AMINO ACIDS AS TOOLS FOR IMAGING PEPTIDOGLYCAN BIOSYNTHESIS DDOST, DAD1, DAO CHRM2 4872/4885CHRM4 4782/4885CHRM1 4835/4885

“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.