Oxalic Acid

Oxalic Acid

SCHEMBL4773305

CCN1CCN(c2nc(/C=C(\C)c3ccc(N4CCOCC4)cc3)cc3ccccc23)CC1.O=C(O)C(=O)O

nearest known ligand 0.41

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
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3R1 P27986 2/20 0.40
PIK3CA P42336 2/20 0.40
MTOR P42345 2/20 0.40
GBA1 P04062 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39

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 SCHEMBL4773310 1.00 SMN1; SMN2 (0.40) SMN1; SMN2MAPTKMT2ACYP1A2ALDH1A1
SCHEMBL4767050 0.95 SMN1; SMN2 (0.40) SMN1; SMN2MAPTKMT2ACYP1A2ALDH1A1
SCHEMBL4767055 0.95 SMN1; SMN2 (0.40) SMN1; SMN2MAPTKMT2ACYP1A2ALDH1A1
Oxalic Acid SCHEMBL4768566 0.92 KMO (0.45) SMN1; SMN2MAPTKMT2ACYP1A2ALDH1A1
Oxalic Acid SCHEMBL4768570 0.92 KMO (0.45) SMN1; SMN2MAPTKMT2ACYP1A2ALDH1A1
Oxalic Acid SCHEMBL4774525 0.90 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKMT2ACYP1A2ALDH1A1
Oxalic Acid SCHEMBL4774531 0.90 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKMT2ACYP1A2ALDH1A1
SCHEMBL4772463 0.88 KMO (0.42) SMN1; SMN2MAPTKMT2ACYP1A2CYP2C19
SCHEMBL4772458 0.88 KMO (0.42) SMN1; SMN2MAPTKMT2ACYP1A2CYP2C19
SCHEMBL6292044 0.86 KMT2A (0.49) SMN1; SMN2MAPTKMT2ACYP1A2ALDH1A1

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 SMN1; SMN2 27/4885MAPT 1892/4885KMT2A 1240/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SMN1; SMN2 37/4885MAPT 3756/4885KMT2A 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.