Oxalic Acid

Oxalic Acid

SCHEMBL5641902

O=C(NCN1CCCC1)Nc1ccc(-c2cnc(CSCCOc3ccccc3)o2)cc1.O=C(O)C(=O)O

nearest known ligand 0.42

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
NPC1 O15118 1/20 0.42
CLK1 P49759 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
AURKA O14965 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR3A P46098 1/20 0.38
EPHX2 P34913 1/20 0.38
HRH3 Q9Y5N1 9/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
KCNH2 Q12809 3/20 0.38
HRH4 Q9H3N8 2/20 0.38
HRH1 P35367 1/20 0.38
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37

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
SCHEMBL5638790 0.98 NPC1 (0.44) NPC1CLK1RAB9AGFERAURKA
SCHEMBL5637914 0.97 NPC1 (0.43) NPC1CLK1RAB9AGFERAURKA
Oxalic Acid SCHEMBL5637724 0.91 HTR3A (0.50) AURKAKDM4EALDH1A1SMN1; SMN2HTR3A
SCHEMBL5637982 0.90 MEN1 (0.49) NPC1CLK1RAB9AGFERAURKA
SCHEMBL5637399 0.89 MEN1 (0.51) AURKAHTR3AHRH3KCNH2
SCHEMBL5638832 0.89 HTR3A (0.52) AURKAHTR3AEPHX2HRH3KCNH2
Oxalic Acid SCHEMBL5637938 0.83 KDM4E (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5641907 0.82 HRH3 (0.36) NPC1CLK1RAB9AGFERKDM4E
SCHEMBL5638739 0.81 NPC1 (0.46) NPC1CLK1RAB9AGFERAURKA
Oxalic Acid SCHEMBL5638226 0.80 MEN1 (0.48) AURKAKDM4EALDH1A1SMN1; SMN2HTR3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R NPC1 457/4885CLK1 3849/4885RAB9A 1063/4885

“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.