SCHEMBL21533749

SCHEMBL21533749

CCN(CC)CCNC(=S)OCc1cc(=O)oc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPT P10636 5/20 0.41
▸ HPGD P15428 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ NPC1 O15118 7/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL21533706 0.88 MEN1 (0.45) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL21171757 0.81 MAOB (0.47) MEN1KMT2AHPGDKDM4ELMNA
SCHEMBL24820011 0.81 RECQL (0.43) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL21533666 0.80 KDM4E (0.47) MEN1KMT2AKDM4ECYP1A2CYP3A4
SCHEMBL21533705 0.79 CDYL (0.46) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL24818334 0.79 MEN1 (0.42) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL21533690 0.79 KMT2A (0.42) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL24486829 0.77 XDH (0.48) TDP1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL21171898 0.77 NPC1 (0.48) TDP1MAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL24487155 0.76 RECQL (0.43) MAPTHPGDKDM4ESMN1; SMN2CYP1A2

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 MEN1 3289/4885KMT2A 2258/4885TDP1 4602/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT MEN1 3289/4885KMT2A 2258/4885TDP1 4602/4885

“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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