Oxalic Acid

Oxalic Acid

SCHEMBL4487013

NCc1c[nH]c2ccccc12.O=C(O)C(=O)O

nearest known ligand 0.79

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 8/20 0.66
MEN1 O00255 7/20 0.66
MAPT P10636 6/20 0.66
KDM4E B2RXH2 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
ALDH1A1 P00352 4/20 0.66
HPGD P15428 1/20 0.66
MPO P05164 2/20 0.60
PMP22 Q01453 2/20 0.60
LMNA P02545 2/20 0.60
TSHR P16473 1/20 0.60
BLM P54132 1/20 0.60
HIF1A Q16665 1/20 0.60
CYP3A4 P08684 2/20 0.59
TAAR1 Q96RJ0 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2A6 P11509 1/20 0.59
NFKB1 P19838 1/20 0.59
HTR1D P28221 1/20 0.59

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
SCHEMBL701395 0.89 HTR2A (0.71) KMT2AMEN1MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL21546062 0.87 PMP22 (0.72) KMT2AMEN1MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5207471 0.87 PMP22 (0.72) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL29484985 0.87 HTR2A (0.69) KMT2AMEN1MAPTKDM4EALDH1A1
Tryptamine SCHEMBL28751439 0.87 CYP1A2 (0.81) KMT2AMEN1MAPTKDM4ESMN1; SMN2
Tryptamine SCHEMBL30426532 0.81 HTR7 (0.83) KMT2AMEN1MAPTKDM4ESMN1; SMN2
Tryptophan SCHEMBL31214183 0.80 KMT2A (0.94) KMT2AMEN1MAPTKDM4ESMN1; SMN2
Dl-Tryptophan SCHEMBL21059258 0.80 KMT2A (0.94) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL27763159 0.79 MEN1 (1.00) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL125249 0.79 MEN1 (1.00) KMT2AMEN1MAPTKDM4ESMN1; SMN2

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-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-03 US disclosed
US-7579350-B2 5-Isobutyl-6-4-isopropyl-4,5-dihydro-oxazol-2-yl)-pyridazin-3-yl]-piperidin-1-yl-methanone; mimetics of functionalized pyridazine derivatives having low molecular weight; alpha-helical binding ligands of natural receptors such as those of the peptide galanin or the protein Bcl THE SCRIPPS RESEARCH INSTITUTE (US) 2009-08-25 US disclosed
US-20060205728-A1 Novel scaffolds for beta-helix mimicry THE SCRIPPS RESEARCH INSTITUTE (US) 2006-09-14 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-20060205728-A1 Novel scaffolds for beta-helix mimicry HRH1, HEATR1, HSPH1 KMT2A 4156/4885MEN1 3582/4885MAPT 1861/4885
US-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY HRH1, HEATR1, PLEKHA1 KMT2A 3802/4885MEN1 3461/4885MAPT 1806/4885

“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.