SCHEMBL4401942

SCHEMBL4401942

O=C(Nc1cc2ccc3cccc4ccc(c1)c2c34)ON1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 1/20 0.38
GFER P55789 1/20 0.38
KLK7 P49862 1/20 0.37
TYMS P04818 3/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 3/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CASP1 P29466 1/20 0.32

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
SCHEMBL4406274 0.83 KDM4E (0.46) KMT2AMEN1KDM4EGAALMNA
SCHEMBL4399520 0.81 ALDH1A1 (0.54) KMT2AMEN1KDM4EGAALMNA
SCHEMBL12444650 0.78 KMT2A (0.49) KMT2AMEN1KDM4EGAALMNA
SCHEMBL1205198 0.77 SMN1; SMN2 (0.51) KMT2AMEN1KDM4EGAALMNA
SCHEMBL10030203 0.77 POLB (0.39) KMT2AMEN1KDM4ELMNARAB9A
SCHEMBL10030212 0.76 ALDH1A1 (0.53) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11712107 0.76 HPGD (0.54) KMT2AMEN1GAALMNARAB9A
SCHEMBL29409612 0.76 NPC1 (0.59) KMT2AMEN1KDM4ERAB9ASMN1; SMN2
SCHEMBL850424 0.76 NPC1 (0.59) KMT2AMEN1KDM4ERAB9ASMN1; SMN2
SCHEMBL4401953 0.75 MEN1 (0.48) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1

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 KMT2A 3022/4885MEN1 2451/4885KDM4E 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.