Oxalic Acid

Oxalic Acid

SCHEMBL1474751

O=C(O)C(=O)O.O=c1[nH]ccnc1CN1CCC(COc2ccccc2F)C1

nearest known ligand 0.45

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 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
TTR P02766 4/20 0.39
RBP4 P02753 3/20 0.39
KDM4E B2RXH2 2/20 0.38
FFAR1 O14842 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.36
DCPS Q96C86 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 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
SCHEMBL12748664 0.95 POLB (0.46) POLBTTRRBP4CYP2D6DCPS
SCHEMBL1477527 0.92 POLB (0.54) POLBKDM4ECYP2D6MEN1ALDH1A1
Oxalic Acid SCHEMBL1475965 0.90 DRD4 (0.42) POLBKDM4EFFAR1DRD2DRD4
SCHEMBL1475267 0.89 DCPS (0.44) POLBCYP2D6DCPS
Oxalic Acid SCHEMBL1477547 0.89 KDM4E (0.47) TTRRBP4KDM4ESMN1; SMN2DRD2
SCHEMBL1475918 0.88 POLB (0.45) POLBCYP2D6DCPS
SCHEMBL12748682 0.84 DRD4 (0.41) DRD2DRD4
SCHEMBL1475687 0.84 POLB (0.36) POLBCYP2D6DCPSHPGD
SCHEMBL1477288 0.84 POLB (0.36) POLBCYP2D6DCPSHPGD
SCHEMBL1475688 0.84 POLB (0.36) POLBCYP2D6DCPSHPGD

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
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 EP disclosed
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 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 (3 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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 POLB 2816/4885TTR 1447/4885RBP4 3961/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 POLB 2535/4885TTR 1810/4885RBP4 3004/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 POLB 2816/4885TTR 1447/4885RBP4 3961/4885

“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.