Oxalic Acid

Oxalic Acid

SCHEMBL1477950

CC(c1ncc[nH]c1=O)N1CCC(C(=O)Cc2ccccc2C(F)(F)F)CC1.O=C(O)C(=O)O

nearest known ligand 0.38

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
SLC6A4 known ✓ P31645 3/20 0.37
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 5/20 0.38
ATM Q13315 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
RBP4 P02753 1/20 0.38
SLC6A2 P23975 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC6A3 Q01959 1/20 0.36
POLQ O75417 1/20 0.36
CYP2C9 P11712 2/20 0.36
EPHX2 P34913 2/20 0.36
OPRK1 P41145 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL1475716 0.97 KDM4E (0.39) KDM4EALDH1A1RBP4SLC6A2SLC6A4
SCHEMBL1475371 0.85 ALDH1A1 (0.37) KDM4EALDH1A1SIGMAR1MAPT
SCHEMBL1475003 0.81 KDM4E (0.41) KDM4EALDH1A1TDP1RBP4SIGMAR1
SCHEMBL1474799 0.79 KDM4E (0.47) KDM4EALDH1A1ATMNPSR1TDP1
Oxalic Acid SCHEMBL1476611 0.72 HRH3 (0.38) KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL5210901 0.69 SCD (0.61) KDM4EALDH1A1RBP4SIGMAR1CYP2C9
SCHEMBL1476777 0.69 F2 (0.38) KDM4EALDH1A1NPSR1KMT2A
SCHEMBL1474405 0.68 SIGMAR1 (0.71) KDM4EALDH1A1ATMNPSR1TDP1
SCHEMBL12748451 0.67 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL1475142 0.67 P2RX7 (0.40) KDM4EALDH1A1TDP1SIGMAR1

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 7 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

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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SLC6A4 826/4885KDM4E 2621/4885ALDH1A1 363/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SLC6A4 826/4885KDM4E 2621/4885ALDH1A1 363/4885

“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.