Oxalic Acid

Oxalic Acid

SCHEMBL4765217

CCN1CCN(c2nc(-c3ccc(CCCOC(C)C)nc3)cc3ccccc23)CC1.O=C(O)C(=O)O

nearest known ligand 0.39

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
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 2/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PKN2 Q16513 1/20 0.36
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2D6 P10635 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
SCHEMBL4765451 0.96 ROCK2 (0.39) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
Oxalic Acid SCHEMBL4775546 0.91 KDM4E (0.40) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
Oxalic Acid SCHEMBL4765786 0.90 MYC (0.42) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
Oxalic Acid SCHEMBL4765221 0.89 PDE5A (0.42) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
Oxalic Acid SCHEMBL4765313 0.87 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
SCHEMBL4770628 0.86 ROCK2 (0.41) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
SCHEMBL4773568 0.85 MYC (0.43) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
SCHEMBL4765454 0.85 PDE5A (0.44) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
SCHEMBL4763834 0.84 ROCK2 (0.41) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
SCHEMBL4766765 0.84 ROCK2 (0.42) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1

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 KMT2A 1240/4885SMN1; SMN2 27/4885CYP1A2 2126/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KMT2A 1300/4885SMN1; SMN2 37/4885CYP1A2 1489/4885

“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.