Oxalic Acid

Oxalic Acid

SCHEMBL6847288

C(=C/c1nc2ccccc2n1-c1ccccn1)\c1ncc[nH]1.O=C(O)C(=O)O

nearest known ligand 0.37

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 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
XBP1 P17861 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PKM P14618 1/20 0.34
POLB P06746 3/20 0.34
CTSD P07339 1/20 0.33
ALKBH2 Q6NS38 1/20 0.33
EGLN1 Q9GZT9 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
Oxalic Acid SCHEMBL6847295 1.00 PDE10A (0.37) PDE10AKMT2AMEN1NPC1ALDH1A1
Oxalic Acid SCHEMBL6835801 0.81 KDM4E (0.44) KMT2AMEN1NPC1ALDH1A1KDM4E
Oxalic Acid SCHEMBL6835798 0.81 KDM4E (0.44) KMT2AMEN1NPC1ALDH1A1KDM4E
Oxalic Acid SCHEMBL6835875 0.79 KMT2A (0.50) KMT2AMEN1NPC1ALDH1A1KDM4E
Oxalic Acid SCHEMBL6835874 0.79 KMT2A (0.50) KMT2AMEN1NPC1ALDH1A1KDM4E
Oxalic Acid SCHEMBL6836385 0.78 PSD (0.47) KMT2AMEN1NPC1ALDH1A1KDM4E
Oxalic Acid SCHEMBL6836384 0.78 PSD (0.47) KMT2AMEN1NPC1ALDH1A1KDM4E
Oxalic Acid SCHEMBL6839793 0.77 KMT2A (0.46) KMT2AMEN1NPC1ALDH1A1KDM4E
Oxalic Acid SCHEMBL6839789 0.77 KMT2A (0.46) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL6835939 0.77 ALDH1A1 (0.56) KMT2ANPC1ALDH1A1KDM4EMAPT

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-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 US disclosed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 EP disclosed
US-6310079-B1 NON-STEROIDAL ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-10-30 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-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 PDE10A 3581/4885KMT2A 1403/4885MEN1 4821/4885

“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.