SCHEMBL21172170

SCHEMBL21172170

CCN(CC)CCCNC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
GAA P10253 1/20 0.61
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TGM2 P21980 1/20 0.56
KEAP1 Q14145 2/20 0.55
NFE2L2 Q16236 2/20 0.55
SIRT2 Q8IXJ6 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 1/20 0.54
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
APP P05067 1/20 0.52
FOLH1 Q04609 2/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49

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
SCHEMBL25771996 0.91 HTT (0.56) HTTGAALMNASMN1; SMN2TGM2
SCHEMBL29924885 0.89 HTT (0.54) HTTGAALMNASMN1; SMN2TGM2
SCHEMBL4365817 0.89 APP (0.63) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL16142711 0.86 HTT (0.76) HTTGAALMNASMN1; SMN2TGM2
SCHEMBL17350365 0.86 HTT (0.67) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL12088080 0.86 HTT (0.67) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL4371553 0.85 APP (0.63) APP
SCHEMBL16789587 0.85 HTT (0.62) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL21171900 0.85 GAA (0.48) HTTGAALMNATGM2SIRT2
SCHEMBL16789588 0.84 HTT (0.58) HTTLMNASMN1; SMN2TGM2KEAP1

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 6 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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals 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 (4 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-11352325-B2 Rapid fluorescence tagging of glycans and other biomolecules with enhanced MS signals FUT5, FUT6, ST3GAL3 HTT 2082/4885GAA 190/4885LMNA 1380/4885
US-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT HTT 1546/4885GAA 112/4885LMNA 1541/4885
US-20220412963-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT HTT 1546/4885GAA 112/4885LMNA 1541/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT HTT 1546/4885GAA 112/4885LMNA 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.