Oxalic Acid

Oxalic Acid

SCHEMBL5673114

Brc1cccc(-c2ncc(N3CCN4CCC3CC4)s2)c1.O=C(O)C(=O)O

nearest known ligand 0.42

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
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 2/20 0.35
L3MBTL3 Q96JM7 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MBTD1 Q05BQ5 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL4 Q8NA19 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL6604301 0.93 HTR3A (0.40) HTR3AKCNH2
Oxalic Acid SCHEMBL5675074 0.85 HDAC3 (0.48) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL5675103 0.81 CHRNA7 (0.41) HTR3A
Bromide SCHEMBL5675094 0.80 CHRNA7 (0.40) HTR3A
SCHEMBL6601516 0.78 HRH3 (0.48) HTR3AKDM4EHDAC3HDAC4HDAC1
Oxalic Acid SCHEMBL5673576 0.77 UGCG (0.43) HTR3AKDM4EKMT2AHDAC3HDAC4
SCHEMBL23794611 0.71 NPC1 (0.52) POLBKMT2AHDAC1HDAC2HDAC6
SCHEMBL5358073 0.70 CHRNA7 (0.36) HTR3AKDM4E
SCHEMBL6542495 0.69 HRH3 (0.42) HTR3AKCNH2
SCHEMBL6600859 0.69 HRH3 (0.46) HTR3AKDM4EHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001902-B2 4-(2 phenylthiazol-5-yl)-1, 4-diazabicyclo-[3.2.2]nonane derivatives, preparation and therapeutic use thereof SANOTL-AVENTIS (FR) 2006-02-21 US disclosed
US-20040029884-A1 4-(2 phenylthiazol-5-yl)-1, 4-diazabicyclo-[3.2.2]nonane deirvatives, preparation and therapeutic use thereof SANOFI (FR) 2004-02-12 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-20040029884-A1 4-(2 phenylthiazol-5-yl)-1, 4-diazabicyclo-[3.2.2]nonane deirvatives, preparation and therapeutic use thereof CBR1, FPR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTR3A 1703/4885KCNH2 562/4885KDM4E 3552/4885

“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.