Oxalic Acid

Oxalic Acid

SCHEMBL6835801

C(=Cc1nc2ccccc2n1-c1ccccn1)c1ccncc1.O=C(O)C(=O)O

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
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 9/20 0.44
RAB9A P51151 7/20 0.44
NPC1 O15118 7/20 0.44
MAPT P10636 6/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
KMT2A Q03164 5/20 0.44
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 7/20 0.41
GLA P06280 6/20 0.41
GAA P10253 6/20 0.41
HPGD P15428 5/20 0.41
TP53 P04637 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GFER P55789 1/20 0.41
MEN1 O00255 4/20 0.40
POLB P06746 2/20 0.40
KLK7 P49862 1/20 0.40

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 SCHEMBL6835798 1.00 KDM4E (0.44) KDM4EALDH1A1RAB9ANPC1MAPT
Oxalic Acid SCHEMBL6835875 0.89 KMT2A (0.50) KDM4EALDH1A1RAB9ANPC1MAPT
Oxalic Acid SCHEMBL6835874 0.89 KMT2A (0.50) KDM4EALDH1A1RAB9ANPC1MAPT
Oxalic Acid SCHEMBL6836384 0.88 PSD (0.47) KDM4EALDH1A1RAB9ANPC1MAPT
Oxalic Acid SCHEMBL6836385 0.88 PSD (0.47) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL6835939 0.88 ALDH1A1 (0.56) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL6835941 0.88 ALDH1A1 (0.56) KDM4EALDH1A1RAB9ANPC1MAPT
Oxalic Acid SCHEMBL6836670 0.86 KDM4E (0.46) KDM4EALDH1A1RAB9ANPC1MAPT
Oxalic Acid SCHEMBL6838532 0.86 NPC1 (0.57) KDM4EALDH1A1RAB9ANPC1MAPT
Oxalic Acid SCHEMBL6836669 0.86 KDM4E (0.46) KDM4EALDH1A1RAB9ANPC1MAPT

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 KDM4E 1257/4885ALDH1A1 209/4885RAB9A 4694/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 KDM4E 1153/4885ALDH1A1 203/4885RAB9A 4729/4885

“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.