Oxalic Acid

Oxalic Acid

SCHEMBL6835875

Fc1ccc(C=Cc2nc3ccccc3n2-c2ccccn2)cc1.O=C(O)C(=O)O

nearest known ligand 0.50

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
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
RAB9A P51151 6/20 0.49
MAPT P10636 5/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 3/20 0.49
TP53 P04637 3/20 0.47
NPC1 O15118 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.42
PKM P14618 2/20 0.42
POLB P06746 1/20 0.41
KLK7 P49862 1/20 0.41
DHODH Q02127 1/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 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 SCHEMBL6835874 1.00 KMT2A (0.50) KMT2AMEN1RAB9AMAPTKDM4E
Hydrochloric Acid SCHEMBL6837124 0.92 SMN1; SMN2 (0.52) KMT2AMEN1RAB9AMAPTKDM4E
Hydrochloric Acid SCHEMBL6837121 0.92 SMN1; SMN2 (0.52) KMT2AMEN1RAB9AMAPTKDM4E
Oxalic Acid SCHEMBL6835798 0.89 KDM4E (0.44) KMT2AMEN1RAB9AMAPTKDM4E
Oxalic Acid SCHEMBL6835801 0.89 KDM4E (0.44) KMT2AMEN1RAB9AMAPTKDM4E
Oxalic Acid SCHEMBL6836669 0.86 KDM4E (0.46) KMT2AMEN1RAB9AMAPTKDM4E
Oxalic Acid SCHEMBL6838528 0.86 NPC1 (0.57) KMT2AMEN1RAB9AMAPTKDM4E
Oxalic Acid SCHEMBL6838532 0.86 NPC1 (0.57) KMT2AMEN1RAB9AMAPTKDM4E
Oxalic Acid SCHEMBL6836670 0.86 KDM4E (0.46) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL6835939 0.86 ALDH1A1 (0.56) KMT2ARAB9AMAPTKDM4EALDH1A1

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 KMT2A 1611/4885MEN1 4840/4885RAB9A 4694/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 KMT2A 1403/4885MEN1 4821/4885RAB9A 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.