Meglumine

Meglumine

SCHEMBL5585404

CN(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(NCc3ccc(C4CCCCC4)cc3)cc2)cs1.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TACR1TTRgyrAgyrBparCparE

The experimentally established mechanism targets of Meglumine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRE11 P49959 1/20 0.36
ENPP2 Q13822 2/20 0.34
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
MMP13 P45452 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 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
SCHEMBL5585653 0.89 RAB9A (0.41) MRE11ENPP2MEN1LMNAMAPT
Hydrochloric Acid SCHEMBL5585772 0.89 RAB9A (0.40) MRE11ENPP2MEN1LMNAMAPT
SCHEMBL5585688 0.89 RAB9A (0.40) MRE11ENPP2MEN1LMNAMAPT
Tromethamine SCHEMBL5585681 0.86 ENPP2 (0.38) MRE11ENPP2MEN1LMNAMAPT
SCHEMBL5585469 0.86 ENPP2 (0.41) MRE11ENPP2MEN1LMNAMAPT
Sulfuric Acid SCHEMBL5585543 0.86 ENPP2 (0.41) MRE11ENPP2MEN1LMNAMAPT
SCHEMBL5585684 0.82 PTGS2 (0.39) MRE11ENPP2MEN1LMNAMAPT
SCHEMBL5585283 0.81 MAPT (0.51) MRE11ENPP2MEN1LMNAMAPT
SCHEMBL5585478 0.81 MRE11 (0.39) MRE11MEN1LMNAMAPTRAB9A
Lysine SCHEMBL5585809 0.81 MRE11 (0.34) MRE11ENPP2MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 MRE11 4833/4885ENPP2 1026/4885MEN1 3299/4885

“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.