SCHEMBL21172134

SCHEMBL21172134

N=C(N)NCCCOC(=O)OCc1cnc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.39
HDAC1 Q13547 8/20 0.39
HDAC2 Q92769 7/20 0.39
HDAC6 Q9UBN7 7/20 0.39
HDAC4 P56524 6/20 0.39
HDAC7 Q8WUI4 6/20 0.39
HDAC10 Q969S8 6/20 0.39
HDAC11 Q96DB2 6/20 0.39
HDAC8 Q9BY41 6/20 0.39
HDAC9 Q9UKV0 6/20 0.39
HDAC5 Q9UQL6 6/20 0.39
TGM2 P21980 3/20 0.38
TRPM5 Q9NZQ8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
FAAH O00519 3/20 0.36
ATG4B Q9Y4P1 1/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL24487059 0.87 TGM2 (0.40) TGM2TRPM5KDM4EKMT2ASMN1; SMN2
SCHEMBL21533701 0.84 TGM2 (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21171817 0.83 TGM2 (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21171896 0.81 NPSR1 (0.40) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21533746 0.80 HTT (0.49) TGM2KMT2ASMN1; SMN2
SCHEMBL21172131 0.80 NPSR1 (0.46) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL24487057 0.80 TGM2 (0.43) TGM2TRPM5KDM4EKMT2ASMN1; SMN2
SCHEMBL21533698 0.79 SMN1; SMN2 (0.39) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21171739 0.79 KDR (0.40) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21171779 0.78 KDM4E (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4

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-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 (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 HDAC3 196/4885HDAC1 467/4885HDAC2 554/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT HDAC3 196/4885HDAC1 467/4885HDAC2 554/4885

“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.