SCHEMBL21533758

SCHEMBL21533758

N=C(N)NCCOC(=O)Cc1cc(=O)oc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ GAA P10253 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 3/20 0.43
▸ RECQL P46063 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NQO1 P15559 1/20 0.39
▸ KCNA3 P22001 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
SCHEMBL24487124 0.94 ALDH1A1 (0.43) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL19636623 0.83 PON1 (0.50) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL21171750 0.82 ACHE (0.48) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL24487254 0.80 NQO1 (0.43) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL24820151 0.80 NPC1 (0.42) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL21171772 0.79 ALDH1A1 (0.42) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL3918098 0.78 KCNA3 (0.57) KCNA3
SCHEMBL24820011 0.78 RECQL (0.43) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL24486990 0.77 NQO1 (0.42) ALDH1A1HPGDHSD17B10RECQLHTT
SCHEMBL21533658 0.77 KDM4E (0.45) KDM4EALDH1A1GAAGLAHPGD

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 KDM4E 3466/4885ALDH1A1 264/4885GAA 112/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT KDM4E 3466/4885ALDH1A1 264/4885GAA 112/4885

“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.

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