Oxalic Acid

Oxalic Acid

SCHEMBL5521152

COc1ccccc1OCc1ccc2c(N3CCCC3)cc(C)nc2c1.O=C(O)C(=O)O

nearest known ligand 0.51

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
NCF1 P14598 4/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.43
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
RXRA P19793 1/20 0.43
NTSR1 P30989 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL5513353 0.94 NCF1 (0.54) NCF1KMT2AMEN1MAPTKDM4E
Oxalic Acid SCHEMBL5521282 0.91 NCF1 (0.52) NCF1KMT2AMEN1MAPTKDM4E
SCHEMBL5514139 0.85 NCF1 (0.55) NCF1KMT2AMEN1MAPTTDP1
SCHEMBL5518157 0.83 HPGD (0.53) KMT2AMEN1MAPTKDM4ETDP1
Oxalic Acid SCHEMBL5526740 0.83 HRH3 (0.53) NCF1KMT2AMEN1MAPTKDM4E
SCHEMBL5516117 0.83 NCF1 (0.53) NCF1KMT2AMAPTKDM4ETDP1
Oxalic Acid SCHEMBL5522896 0.83 HRH3 (0.57) NCF1KMT2AMEN1MAPTKDM4E
SCHEMBL5513306 0.82 NCF1 (0.61) NCF1KMT2AMEN1MAPTKDM4E
Oxalic Acid SCHEMBL5526361 0.81 NCF1 (0.47) NCF1MAPTMRGPRX4
Oxalic Acid SCHEMBL27568990 0.81 NCF1 (0.47) NCF1MAPTMRGPRX4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166589-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity KLUG MICHAEL G 2006-07-06 US disclosed
US-7064134-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-20 US disclosed
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity KLUG MICHAEL G 2006-03-23 US disclosed
US-7012073-B2 Quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-03-14 US disclosed
US-20040259858-A1 Quinoline derivatives KLUG MICHAEL G (US) 2004-12-23 US disclosed
US-6787558-B2 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS, FOR TREATING ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS AND OBESITY HOFFMANN-LA ROCHE INC. 2004-09-07 US disclosed
EP-1432421-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2004-06-30 EP disclosed
US-20030158179-A1 Quinoline derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2003-08-21 US disclosed
WO-2003028726-A1 QUINOLINE DERIVATIVES AS NEUROPEPTIDE Y ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-10 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 (4 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-20030158179-A1 Quinoline derivatives RAB1A, GLS, REN NCF1 1277/4885KMT2A 1658/4885MEN1 621/4885
US-20060148794-A1 Neuropeptide Y antagonist; antiarthritic agents; cardiovascular disorders; antidiabetic agents; kidney disorders; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1911/4885KMT2A 2167/4885MEN1 532/4885
US-20040259858-A1 Quinoline derivatives RAB1A, GLS, REN NCF1 1277/4885KMT2A 1658/4885MEN1 621/4885
US-20060063758-A1 Neuropeptide Y antagonist; antiarthritc agents; cardiovascular disorders; antidiabetic agents; kidney diseases; eating disorders; obesity NPY1R, NPY2R, NPY4R NCF1 1865/4885KMT2A 992/4885MEN1 953/4885

“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.