SCHEMBL26239235

SCHEMBL26239235

COC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KCNH2 Q12809 5/20 0.53
MAPT P10636 4/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
PPARG P37231 2/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL28774119 0.85 ITGA4 (0.47) ALDH1A1MAPT
SCHEMBL28774120 0.85 ITGA4 (0.47) ALDH1A1MAPT
SCHEMBL28774123 0.84 ITGA4 (0.47) ALDH1A1MAPT
SCHEMBL28774121 0.84 ITGA4 (0.47) ALDH1A1MAPT
SCHEMBL6823818 0.82 GAA (0.58) ALDH1A1MAPTCRHBPCRHR2L3MBTL1
SCHEMBL9662536 0.81 KCNH2 (0.59) ALDH1A1KCNH2MAPTCRHBPCRHR2
SCHEMBL4539702 0.81 MGLL (0.52) ALDH1A1KCNH2MAPT
SCHEMBL4537797 0.81 MGLL (0.52) ALDH1A1KCNH2MAPT
SCHEMBL3266156 0.80 ITGA4 (0.45) ALDH1A1MAPT
SCHEMBL3266154 0.80 ITGA4 (0.45) ALDH1A1MAPT

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-20240025846-A1 ULTRA SHORT ACTING ANTI-ARRHYTHMIC AGENTS ACAD PHARMACEUTICALS INC (US) 2024-01-25 US disclosed
US-11731938-B2 Ultra short acting anti-arrhythmic agents ACADEMIC PHARMACEUTICALS INC (US) 2023-08-22 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 (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-11731938-B2 Ultra short acting anti-arrhythmic agents CACNA1G, SCN5A, CACNA1F ALDH1A1 1515/4885KCNH2 51/4885MAPT 3515/4885
US-20240025846-A1 ULTRA SHORT ACTING ANTI-ARRHYTHMIC AGENTS CACNA1G, SCN5A, CACNA1F ALDH1A1 1515/4885KCNH2 51/4885MAPT 3515/4885

“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.