SCHEMBL4401959

SCHEMBL4401959

O=C(Nc1cccc2ccccc12)ON1C(=O)CCC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
HPGD P15428 1/20 0.54
KDM4E B2RXH2 10/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HSD17B10 Q99714 4/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4399516 0.88 HDAC1 (0.47) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL4402082 0.85 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL10030205 0.83 HPGD (0.42) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4399520 0.82 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL20436305 0.82 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL890433 0.82 CYP2C19 (0.64) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL4402100 0.81 CASP6 (0.59) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL11709551 0.81 MAPT (0.53) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL4403976 0.79 ITGB1 (0.55) ALDH1A1HPGDKDM4EGAANPC1
SCHEMBL14960464 0.78 ABCC1 (0.47) ALDH1A1HPGDKDM4EGAAMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252584-B1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME INC (US) 2016-12-07 EP disclosed
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 2931/4885HPGD 2709/4885KDM4E 2415/4885

“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.