Oxalic Acid

Oxalic Acid

SCHEMBL4773633

CCN1CCN(c2nc(C(O)c3ccc(OC)cc3)cc3ccccc23)CC1.O=C(O)C(=O)O

nearest known ligand 0.46

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
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDR P35968 2/20 0.42
MAPT P10636 3/20 0.42
MCHR1 Q99705 1/20 0.41
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4772543 0.95 MEN1 (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
Oxalic Acid SCHEMBL6292021 0.91 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL14102717 0.87 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
Oxalic Acid SCHEMBL4763602 0.86 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4773636 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4769665 0.84 SMN1; SMN2 (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
Oxalic Acid SCHEMBL4768201 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
Oxalic Acid SCHEMBL4764292 0.81 KDR (0.41) ALDH1A1KDM4EMEN1KMT2AKDR
SCHEMBL4769437 0.80 MEN1 (0.44) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
Oxalic Acid SCHEMBL4772102 0.79 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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 ALDH1A1 2989/4885KDM4E 1050/4885SMN1; SMN2 27/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885KDM4E 1058/4885SMN1; SMN2 37/4885

“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.