Oxalic Acid

Oxalic Acid

SCHEMBL4764768

CCN1CCN(c2nc(C=Cc3ccc(OCCO)cc3)cc3ccccc23)CC1.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
MAPT P10636 2/20 0.41
TP53 P04637 2/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
PRMT5 O14744 1/20 0.39
MCHR1 Q99705 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PPARA Q07869 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
Oxalic Acid SCHEMBL4764765 1.00 MAPT (0.41) MAPTTP53KMT2AALDH1A1MEN1
SCHEMBL4763615 0.95 RAB9A (0.41) MAPTTP53KMT2AMEN1L3MBTL1
SCHEMBL4768350 0.95 RAB9A (0.41) MAPTTP53KMT2AMEN1L3MBTL1
Oxalic Acid SCHEMBL4770498 0.91 ALDH1A1 (0.46) MAPTKMT2AALDH1A1MEN1L3MBTL1
Oxalic Acid SCHEMBL4770485 0.91 ALDH1A1 (0.46) MAPTKMT2AALDH1A1MEN1L3MBTL1
Oxalic Acid SCHEMBL4772102 0.89 KDM4E (0.51) MAPTKMT2AALDH1A1MEN1KDM4E
Oxalic Acid SCHEMBL4772095 0.89 KDM4E (0.51) MAPTKMT2AALDH1A1MEN1KDM4E
Oxalic Acid SCHEMBL4772097 0.89 KDM4E (0.51) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL4767117 0.89 KMT2A (0.42) MAPTTP53KMT2AALDH1A1MEN1
Oxalic Acid SCHEMBL4769148 0.87 KDM4E (0.46) MAPTKMT2AALDH1A1MEN1L3MBTL1

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
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 MAPT 1892/4885TP53 2427/4885KMT2A 1240/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPT 3756/4885TP53 3037/4885KMT2A 1300/4885

“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.