Oxalic Acid

Oxalic Acid

SCHEMBL521515

O=C(O)C(=O)O.O=[N+]([O-])c1cccc(C2CNCCN2)c1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. 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
LMNA P02545 4/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC9A1 P19634 1/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CACNA1F O60840 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PDE1C Q14123 1/20 0.39

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
SCHEMBL1638080 0.93 LMNA (0.48) LMNAALDH1A1L3MBTL1SLC9A1GAA
Oxalic Acid SCHEMBL522460 0.84 ALDH1A1 (0.41) LMNAALDH1A1GAAKDM4EMAPT
SCHEMBL9786136 0.76 LMNA (0.43) LMNAALDH1A1GAAMAPTMEN1
SCHEMBL1639080 0.76 LMNA (0.43) LMNAALDH1A1GAAMAPTMEN1
SCHEMBL8133139 0.75 ADRB1 (0.45) LMNAALDH1A1GAAMAPTMEN1
SCHEMBL8127951 0.75 ADRB1 (0.45) LMNAALDH1A1GAAMAPTMEN1
SCHEMBL27888409 0.74 ALDH1A1 (0.57) LMNAALDH1A1L3MBTL1SLC9A1GAA
Pyridine SCHEMBL28226947 0.73 LMNA (0.37) LMNAALDH1A1L3MBTL1GAAMAPT
SCHEMBL20557287 0.72 LMNA (0.52) LMNAALDH1A1GAAKDM4EMAPT
SCHEMBL23123610 0.71 CHRNB4 (0.59) LMNAALDH1A1L3MBTL1SLC9A1GAA

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-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 LMNA 3783/4885TP53 213/4885ALDH1A1 779/4885

“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.