Oxalic Acid

Oxalic Acid

SCHEMBL7541318

NC1CCc2[nH]c3ccc([N+](=O)[O-])cc3c2C1.O=C(O)C(=O)O

nearest known ligand 0.61

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
HTR1B P28222 5/20 0.61
KMT2A Q03164 6/20 0.57
MAPT P10636 6/20 0.57
MEN1 O00255 5/20 0.57
GFER P55789 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HTR6 P50406 1/20 0.56
HTR1D P28221 4/20 0.53
BAZ2B Q9UIF8 1/20 0.53
NR2E1 Q9Y466 1/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
EGFR P00533 1/20 0.46
IGF1R P08069 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
NPY1R P25929 1/20 0.45

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
SCHEMBL8645214 0.94 MAPT (0.64) HTR1BKMT2AMAPTMEN1GFER
Oxalic Acid SCHEMBL7540449 0.81 HTR1B (0.66) HTR1BKMT2AMEN1SMN1; SMN2HTR6
Oxalic Acid SCHEMBL7543349 0.81 HTR1B (0.66) HTR1BKMT2AHTR6HTR1DBAZ2B
Oxalic Acid SCHEMBL8648568 0.80 HTR1B (0.44) HTR1BKMT2AMAPTMEN1GFER
SCHEMBL6757984 0.80 KMT2A (0.64) HTR1BKMT2AMAPTMEN1GFER
Oxalic Acid SCHEMBL9286576 0.79 HTR1B (0.49) HTR1BKMT2AMAPTMEN1GFER
Oxalic Acid SCHEMBL7540885 0.78 HTR1B (0.62) HTR1BKMT2AMEN1HTR6HTR1D
SCHEMBL11205154 0.78 MAPT (0.58) KMT2AMAPTMEN1GFERSMN1; SMN2
Oxalic Acid SCHEMBL8642606 0.78 HTR6 (0.44) HTR1BKMT2AMAPTMEN1SMN1; SMN2
Oxalic Acid SCHEMBL27314563 0.77 HTR1B (0.71) HTR1BKMT2AMAPTMEN1SMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020032192-A1 Treatment of vasodilatory headache VERNALIS LIMITED (GB) 2002-03-14 US disclosed
EP-1175416-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-30 EP disclosed
EP-1104292-A2 TREATMENT OF VASODILATORY HEADACHE Vernalis Limited (GB) 2001-06-06 EP disclosed
WO-2000064885-A1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-02 WO disclosed
WO-2000009099-A2 TREATMENT OF VASODILATORY HEADACHE VERNALIS LIMITED (GB) 2000-02-24 WO disclosed
US-5827871-A VASODILATION DISORDERS, ESPECIALLY MIGRAINE HEADACHES; SIDE EFFECT REDUCTION SMITHKLINE BEECHAM PLC (GB) 1998-10-27 US disclosed
EP-0603432-B1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1998-10-21 EP disclosed
EP-0591280-B1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-09 EP disclosed
US-5637611-A Medicaments SMITHKLINE BEECHAM P.L.C. (GB) 1997-06-10 US disclosed
CN-1034072-C Medicaments SMITHKLINE BEECHAM PLC (GB) 1997-02-19 CN disclosed
US-5464864-A Use of tetrahydrocarbazone derivatives as 5HT1 receptor agonists SMITHKLINE BEECHAM P.L.C. (GB) 1995-11-07 US disclosed
EP-0603432-A1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1994-06-29 EP disclosed
EP-0591280-A1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-13 EP disclosed
CN-1069726-A The preparation method of compounds SMITHKLINE BEECHAM PLC (GB) 1993-03-10 CN disclosed
WO-1993000086-A1 USE OF TETRAHYDROCARBAZONE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 WO 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 (1 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-20020032192-A1 Treatment of vasodilatory headache CNR1, CNR2, EDNRA HTR1B 71/4885KMT2A 2511/4885MAPT 4035/4885

“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.