Oxalic Acid

Oxalic Acid

SCHEMBL522460

O=C(O)C(=O)O.O=[N+]([O-])c1ccc(C2CNCCN2)cc1

nearest known ligand 0.41

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 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
KDM1A O60341 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
ADRB1 P08588 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SLC6A3 Q01959 2/20 0.38
POLB P06746 1/20 0.38
CES1 P23141 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CES2 O00748 1/20 0.37
SRD5A2 P31213 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL1639080 0.93 LMNA (0.43) ALDH1A1MAPTGAALMNAADRB1
SCHEMBL9786136 0.93 LMNA (0.43) ALDH1A1MAPTGAALMNAADRB1
SCHEMBL8133139 0.91 ADRB1 (0.45) ALDH1A1MAPTGAALMNAADRB1
SCHEMBL8127951 0.91 ADRB1 (0.45) ALDH1A1MAPTGAALMNAADRB1
Pyridine SCHEMBL28226947 0.85 LMNA (0.37) ALDH1A1MAPTGAALMNAADRB1
Oxalic Acid SCHEMBL521515 0.84 LMNA (0.43) ALDH1A1TDP1KDM4EMAPTGAA
SCHEMBL6860972 0.84 LMNA (0.42) ALDH1A1MAPTGAALMNAADRB1
SCHEMBL10922465 0.79 LMNA (0.50) ALDH1A1MAPTGAALMNAPOLB
SCHEMBL1638080 0.75 LMNA (0.48) ALDH1A1TDP1KDM4EMAPTGAA
SCHEMBL15203702 0.75 TSHR (0.41) ALDH1A1KDM4EMEN1KMT2ASRD5A2

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
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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 (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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ALDH1A1 779/4885TDP1 1698/4885KDM4E 192/4885

“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.