SCHEMBL2883320

SCHEMBL2883320

COC(=O)c1cc([N+](=O)[O-])c(Sc2ccccc2)c(S(N)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ GAA P10253 2/20 0.49
▸ VCAM1 P19320 1/20 0.49
▸ HTT P42858 1/20 0.46
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA12 O43570 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ ABL1 P00519 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CA5A P35218 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ABCC9 O60706 1/20 0.40

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
SCHEMBL2879281 0.87 MAPT (0.48) MAPTGAAHTTCA1CA2
SCHEMBL11397629 0.85 FBP1 (0.46) MAPTGAAVCAM1HTTPOLB
SCHEMBL11549637 0.82 KDM4E (0.50) MAPTGAACA1CA2CA9
SCHEMBL11543240 0.82 MAPT (0.43) MAPTGAAVCAM1HTTPOLB
SCHEMBL21437398 0.82 MAPT (0.43) MAPTGAAVCAM1HTTPOLB
SCHEMBL573787 0.79 VCAM1 (0.53) MAPTGAAVCAM1CA1CA2
SCHEMBL21436556 0.79 VCAM1 (0.50) MAPTGAAVCAM1CA1CA2
SCHEMBL11800233 0.78 PAX8 (0.44) MAPTGAAHTTCA1CA2
SCHEMBL10281398 0.76 ALDH1A1 (0.51) MAPTGAACA1CA2CA9
SCHEMBL573521 0.76 VCAM1 (0.54) MAPTGAAVCAM1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-01-05 — — 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-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 MAPT 413/4885GAA 2397/4885VCAM1 481/4885

“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.

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