Oxalic Acid

Oxalic Acid

SCHEMBL4767229

CCN1CCN(c2nc(/C=C/c3cccc(N4CCOCC4)c3)cc3ccccc23)CC1.O=C(O)C(=O)O

nearest known ligand 0.47

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 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMO O15229 1/20 0.40
CHRNA7 P36544 1/20 0.40
PDE10A Q9Y233 1/20 0.40
TP53 P04637 1/20 0.39
PIM2 Q9P1W9 1/20 0.38
ABCB1 P08183 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 SCHEMBL4767234 1.00 MAPT (0.47) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4771589 0.95 MAPT (0.43) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4771582 0.95 MAPT (0.43) MAPTNPC1RAB9AKDM4ESMN1; SMN2
Oxalic Acid SCHEMBL6288570 0.92 MAPT (0.56) MAPTNPC1RAB9AKDM4ESMN1; SMN2
Oxalic Acid SCHEMBL6288569 0.92 MAPT (0.56) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4764312 0.86 MAPT (0.52) MAPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4764311 0.86 MAPT (0.52) MAPTNPC1RAB9AKDM4ESMN1; SMN2
Oxalic Acid SCHEMBL4766927 0.85 KDM4E (0.44) MAPTNPC1RAB9AKDM4ESMN1; SMN2
Oxalic Acid SCHEMBL4766934 0.85 KDM4E (0.44) MAPTNPC1RAB9AKDM4ESMN1; SMN2
Oxalic Acid SCHEMBL4766026 0.85 KDM4E (0.41) MAPTNPC1RAB9AKDM4ESMN1; SMN2

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 1892/4885NPC1 4578/4885RAB9A 2421/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPT 3756/4885NPC1 4576/4885RAB9A 2304/4885

“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.