SCHEMBL21533682

SCHEMBL21533682

O=C(NCCCP(=O)(O)O)OCc1cnc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
HDAC3 O15379 5/20 0.43
HDAC1 Q13547 5/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC4 P56524 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
TGM2 P21980 3/20 0.42
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TRPV1 Q8NER1 5/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL21171721 0.84 RAB9A (0.42) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21533733 0.83 TGM2 (0.49) HTTHDAC1HDAC8TGM2SMN1; SMN2
SCHEMBL21171756 0.81 ATG4B (0.50) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21171739 0.81 KDR (0.40) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21171693 0.81 ALDH1A1 (0.45) HTTTGM2SMN1; SMN2LMNARAB9A
SCHEMBL21533701 0.81 TGM2 (0.43) HTTHDAC3HDAC1HDAC2HDAC6
SCHEMBL3362572 0.80 HTT (0.67) HTTTGM2SMN1; SMN2LMNAKEAP1
SCHEMBL21171892 0.78 S1PR3 (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21171720 0.78 HDAC6 (0.49) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL24487057 0.78 TGM2 (0.43) TGM2SMN1; SMN2RAB9A

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 HTT 1546/4885HDAC3 196/4885HDAC1 467/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT HTT 1546/4885HDAC3 196/4885HDAC1 467/4885

“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.