SCHEMBL4401085

SCHEMBL4401085

O=C(Nc1ccc2c3ccccc3c3ccccc3c2c1)ON1C(=O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
NPY5R Q15761 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
GRM4 Q14833 1/20 0.36
SYK P43405 1/20 0.35
TYRO3 Q06418 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOA P21397 1/20 0.35

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 0.82 KDM4E (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL1205198 0.82 SMN1; SMN2 (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL11712099 0.78 EPHX1 (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9086106 0.77 GAA (0.44) BRD4MEN1KMT2AKDM4EUSP2
SCHEMBL10030212 0.77 ALDH1A1 (0.53) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL11712107 0.77 HPGD (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4401953 0.76 MEN1 (0.48) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL4399509 0.76 NPC1 (0.54) ALDH1A1MAPTLMNAGAARAB9A
SCHEMBL4401957 0.75 CA12 (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL4401959 0.74 ALDH1A1 (0.54) MEN1KMT2AKDM4EALDH1A1MAPT

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 BRD4 579/4885NPY5R 2694/4885MEN1 2451/4885

“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.