Oxalic Acid

Oxalic Acid

SCHEMBL900716

CN1CCC(NC(c2cc3ccccc3o2)c2nc3ccccc3s2)CC1.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
APEX1 P27695 1/20 0.46
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 3/20 0.37
BCHE P06276 2/20 0.37
GAA P10253 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 4/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
SMO Q99835 1/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2720537 0.79 HPGD (0.46) RAB9AHPGDGAAKMT2ANPC1
SCHEMBL900717 0.76 APEX1 (0.46) APEX1HRH4ALDH1A1RAB9AKDM4E
SCHEMBL2719898 0.75 HPGD (0.40) HPGDKMT2AFLT3
Oxalic Acid SCHEMBL900475 0.75 MAPT (0.42) ALDH1A1RAB9AKDM4ELMNAHPGD
SCHEMBL2723732 0.74 SMN1; SMN2 (0.42) ALDH1A1RAB9ALMNAHPGDGAA
SCHEMBL899905 0.74 UBE2M (0.42) ALDH1A1RAB9AKDM4ELMNAHPGD
SCHEMBL2722543 0.73 HPGD (0.38) ALDH1A1LMNAHPGDGAAKMT2A
SCHEMBL899811 0.73 KMT2A (0.43) ALDH1A1LMNAHPGDGAAKMT2A
SCHEMBL2720181 0.73 LOXL2 (0.36) ALDH1A1RAB9ALMNAHPGDGAA
SCHEMBL2720741 0.73 HPGD (0.39) ALDH1A1RAB9ALMNAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621916-B1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2016-02-10 EP disclosed
US-9029357-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2015-05-12 US disclosed
US-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET SOC CIV (FR) 2015-01-01 US disclosed
US-8802664-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJECT (FR) 2014-08-12 US disclosed
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET (FR) 2013-09-05 US disclosed
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP disclosed
EP-2447263-A1 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2012-05-02 EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 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 (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-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 APEX1 4884/4885HRH4 1/4885ALDH1A1 2893/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 APEX1 4884/4885HRH4 1/4885ALDH1A1 1305/4885

“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.