Oxalic Acid

Oxalic Acid

SCHEMBL6838528

COc1ccc(/C=C/c2nc3ccccc3n2-c2ccccn2)cc1.O=C(O)C(=O)O

nearest known ligand 0.57

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
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 6/20 0.57
LMNA P02545 5/20 0.57
MAPT P10636 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
PKM P14618 3/20 0.57
RCE1 Q9Y256 2/20 0.57
CDK5 Q00535 1/20 0.57
PAX8 Q06710 1/20 0.57
CDK5R1 Q15078 1/20 0.57
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
HPGD P15428 3/20 0.51
NFKB1 P19838 3/20 0.51
HTT P42858 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51

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 SCHEMBL6838532 1.00 NPC1 (0.57) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL6836866 0.94 ALDH1A1 (0.64) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL6836870 0.94 ALDH1A1 (0.64) NPC1RAB9AALDH1A1KDM4ELMNA
Oxalic Acid SCHEMBL6838749 0.90 MAPT (0.54) NPC1RAB9AALDH1A1KDM4ELMNA
Oxalic Acid SCHEMBL6838751 0.90 MAPT (0.54) NPC1RAB9AALDH1A1KDM4ELMNA
Oxalic Acid SCHEMBL6835931 0.89 POLB (0.51) NPC1RAB9AALDH1A1KDM4ELMNA
Oxalic Acid SCHEMBL6835930 0.89 POLB (0.51) NPC1RAB9AALDH1A1KDM4ELMNA
Oxalic Acid SCHEMBL6835746 0.89 POLB (0.46) NPC1RAB9AALDH1A1KDM4ELMNA
Oxalic Acid SCHEMBL6838622 0.89 PDE10A (0.47) NPC1RAB9AALDH1A1KDM4ELMNA
Oxalic Acid SCHEMBL6835748 0.89 POLB (0.46) NPC1RAB9AALDH1A1KDM4ELMNA

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
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 US disclosed
US-6713482-B2 SUCH AS (E)-1-(2-PYRIDYL)-2-STYRYL-1H-BENZIMIDAZOLE; ANTIINFLAMMATORY AND ANALGESIC AGENTS; PROSTAGLANDIN INHIBITORS PFIZER INC. 2004-03-30 US disclosed
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors OKUMURA YOSHIYUKI (JP) 2003-01-16 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 (2 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-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors PTGS1, CBR1, CBR3 NPC1 2771/4885RAB9A 4694/4885ALDH1A1 209/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 NPC1 3021/4885RAB9A 4729/4885ALDH1A1 203/4885

“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.