SCHEMBL21171908

SCHEMBL21171908

N=C(N)NCCNC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NR1H4 Q96RI1 1/20 0.50
NLRP3 Q96P20 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PPARG P37231 1/20 0.48
HTT P42858 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
AIMP2 Q13155 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL14504218 0.84 MEN1 (0.54) MEN1KMT2ANR1H4NLRP3L3MBTL1
SCHEMBL31713830 0.84 MC4R (0.55) MEN1KMT2ANR1H4NLRP3L3MBTL1
SCHEMBL31713941 0.84 NR1H4 (0.57) MEN1KMT2ANR1H4NLRP3L3MBTL1
SCHEMBL23094939 0.82 L3MBTL1 (0.60) MEN1KMT2ANR1H4NLRP3L3MBTL1
SCHEMBL21171993 0.82 VNN1 (0.49) MEN1KMT2ANR1H4NLRP3HDAC3
SCHEMBL6890675 0.82 MEN1 (0.55) MEN1KMT2ANR1H4NLRP3L3MBTL1
SCHEMBL21171999 0.82 MC5R (0.47) NR1H4HDAC3HDAC1HDAC2HDAC8
SCHEMBL21171839 0.82 HPGD (0.60) MEN1KMT2AHDAC8HDAC6
SCHEMBL21172153 0.81 HDAC3 (0.43) MEN1KMT2ANR1H4NLRP3L3MBTL1
SCHEMBL21171734 0.80 HDAC3 (0.44) MEN1KMT2ANPSR1HDAC3HDAC4

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 MEN1 3289/4885KMT2A 2258/4885NR1H4 4580/4885
US-11061023-B2 Fluorescence tagging of glycans and other biomolecules through reductive amination for enhanced MS signals FUT5, FUT6, OGT MEN1 3289/4885KMT2A 2258/4885NR1H4 4580/4885

“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.