Oxalic Acid

Oxalic Acid

SCHEMBL1460169

CCNNC(=N)c1cnccn1.O=C(O)C(=O)O

nearest known ligand 0.46

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 5/20 0.46
▸ NAPRT Q6XQN6 1/20 0.46
▸ HCAR2 Q8TDS4 1/20 0.46
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ MC3R P41968 1/20 0.41
▸ SMN1; SMN2 Q16637 7/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39

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
SCHEMBL12745729 0.74 KDM4E (0.44) KDM4ENAPRTHCAR2NPC1RAB9A
SCHEMBL2215871 0.69 KDM4E (0.67) KDM4EHTTLMNANPC1RAB9A
SCHEMBL1321794 0.69 KDM4E (0.61) KDM4ENAPRTHCAR2LMNANPC1
SCHEMBL4904135 0.68 BAZ2B (0.52) KDM4ENAPRTHCAR2NPC1RAB9A
SCHEMBL29806269 0.68 KDM4E (0.48) KDM4ENAPRTHCAR2NPC1RAB9A
SCHEMBL640866 0.68 KDM4E (0.48) KDM4ENAPRTHCAR2NPC1RAB9A
Pyrazinoic Acid SCHEMBL10421019 0.67 KDM4E (0.77) KDM4ENAPRTHCAR2HTTLMNA
Pyrazinamide SCHEMBL28176719 0.67 ADORA3 (0.81) KDM4ENAPRTHCAR2LMNANPC1
SCHEMBL2632671 0.67 KDM4E (0.58) KDM4ENAPRTHCAR2HTTLMNA
SCHEMBL27497486 0.66 KDM4E (0.68) KDM4ENAPRTHCAR2LMNANPC1

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
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — 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 (1 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E KDM4E 2583/4885NAPRT 2642/4885HCAR2 96/4885

“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.

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