SCHEMBL21533701

SCHEMBL21533701

N=C(N)NCCNC(=O)OCc1cnc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
PLAU P00749 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL24487057 0.91 TGM2 (0.43) TGM2SMN1; SMN2PLAUNPSR1KDM4E
SCHEMBL21172131 0.86 NPSR1 (0.46) TGM2SMN1; SMN2NPSR1KDM4EKMT2A
SCHEMBL21172134 0.84 HDAC3 (0.39) TGM2SMN1; SMN2KDM4EKMT2ACYP1A2
SCHEMBL24487059 0.84 TGM2 (0.40) TGM2SMN1; SMN2PLAUNPSR1KDM4E
SCHEMBL21171734 0.82 HDAC3 (0.44) SMN1; SMN2NPSR1KDM4EKMT2ACYP1A2
SCHEMBL21171896 0.82 NPSR1 (0.40) SMN1; SMN2NPSR1HTTKDM4EKMT2A
SCHEMBL24820212 0.82 PLAU (0.47) TGM2SMN1; SMN2LMNAPLAUNPSR1
SCHEMBL21171722 0.81 ATG4B (0.51) NPSR1HTTKDM4EKMT2ACYP1A2
SCHEMBL21533682 0.81 HTT (0.44) TGM2SMN1; SMN2LMNAHTTHDAC3
SCHEMBL21533698 0.81 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1KDM4EKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20190331669-A1 FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES THROUGH REDUCTIVE AMINATION FOR ENHANCED MS SIGNALS FUT5, FUT6, OGT TGM2 371/4885SMN1; SMN2 4264/4885LMNA 1541/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT TGM2 371/4885SMN1; SMN2 4264/4885LMNA 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.