SCHEMBL21171925

SCHEMBL21171925

N=C(N)NCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
TGM2 P21980 1/20 0.63
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KEAP1 Q14145 2/20 0.60
NFE2L2 Q16236 2/20 0.60
DPP8 Q6V1X1 2/20 0.54
DPP7 Q9UHL4 2/20 0.54
FOLH1 Q04609 3/20 0.53
SLC1A3 P43003 1/20 0.52
SLC1A1 P43005 1/20 0.52
ANPEP P15144 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
PLAU P00749 1/20 0.51
MAPT P10636 1/20 0.50
DPP4 P27487 1/20 0.50
DPP9 Q86TI2 1/20 0.50

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
SCHEMBL24486949 0.97 HTT (0.67) HTTTGM2LMNASMN1; SMN2KEAP1
Trifluoroacetic Acid SCHEMBL5310403 0.92 HTT (0.58) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.89 HTT (0.81) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL20362124 0.88 HTT (0.67) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL20362125 0.88 HTT (0.56) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.88 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.88 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.88 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL10422737 0.87 HTT (0.73) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL8557693 0.86 EPHX2 (0.56) HTTTGM2LMNASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION 2022-12-29 US disclosed
US-11353461-B2 Methods of enhancing MS detection of tagged glycans WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 US disclosed
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals WATERS TECHNOLOGIES CORPORATION (US) 2021-07-13 US disclosed
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2019-10-31 US disclosed
US-20190219587-A1 METHODS OF ENHANCING MS DETECTION OF TAGGED GLYCANS WATERS TECHNOLOGIES CORPORATION 2019-07-18 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 (3 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-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT HTT 1546/4885TGM2 371/4885LMNA 1541/4885
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT HTT 1546/4885TGM2 371/4885LMNA 1541/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT HTT 1546/4885TGM2 371/4885LMNA 1541/4885

“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.