SCHEMBL4399520

SCHEMBL4399520

O=C(Nc1ccc2ccc3cccc4ccc1c2c34)ON1C(=O)CCC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 6/20 0.54
HPGD P15428 6/20 0.54
MAPT P10636 5/20 0.54
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HTT P42858 1/20 0.37
FAAH O00519 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
PLAU P00749 1/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP1A2 P05177 2/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL4401959 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL4401942 0.81 KMT2A (0.38) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL4402082 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPTTRPV1
SCHEMBL4399516 0.79 HDAC1 (0.47) ALDH1A1KDM4EHPGDMAPTHDAC1
SCHEMBL4402100 0.78 CASP6 (0.59) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL4401949 0.77 KDM4E (0.30) ALDH1A1KDM4EHPGDMAPT
SCHEMBL25241136 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPTFAAH
SCHEMBL20436305 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL21363354 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTHDAC1
SCHEMBL10030203 0.75 POLB (0.39) ALDH1A1KDM4EHPGDMAPTHTT

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-8445292-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2013-05-21 US disclosed
US-20120107942-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME, INC. (US) 2012-05-03 US disclosed
US-8124792-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2012-02-28 US disclosed
US-20090258437-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME, INC. (US) 2009-10-15 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 (1 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-20090258437-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS B3GNT2, FUT5, FUT6 ALDH1A1 2931/4885KDM4E 2415/4885HPGD 2709/4885

“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.