SCHEMBL2879281

SCHEMBL2879281

NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1Sc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ GAA P10253 1/20 0.48
▸ POLB P06746 2/20 0.45
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CASP6 P55212 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ USP47 Q96K76 1/20 0.41
▸ HCAR3 P49019 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA13 Q8N1Q1 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
SCHEMBL2883320 0.87 MAPT (0.49) MAPTGAAPOLBCA12CA1
SCHEMBL11848006 0.85 TSHR (0.44) MAPTGAAPOLBCA12CA1
SCHEMBL11800233 0.84 PAX8 (0.44) MAPTGAACA12CA1CA2
SCHEMBL2880825 0.80 CA2 (0.44) CA12CA1CA2CA9LMNA
SCHEMBL11851310 0.78 POLB (0.48) POLBCA12CA1CA2CA9
SCHEMBL11842282 0.76 POLB (0.49) MAPTGAAPOLBCA12CA1
SCHEMBL16581035 0.76 LMNA (0.51) MAPTPOLBCA12CA1CA2
SCHEMBL573640 0.75 KDM4E (0.58) POLBCA12CA1CA2CA9
SCHEMBL2883308 0.75 HCAR3 (0.55) MAPTPOLBCA12CA1CA2
SCHEMBL11841111 0.75 MAPT (0.48) MAPTGAAPOLBCA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2017-08-31 — — US disclosed
US-9682928-B2 Bumetanide analogs, compositions and methods of use NEUROPRO THERAPEUTICS, INC. (US) 2017-06-20 — — US disclosed
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS INC. 2015-03-19 — — US disclosed
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-01-05 — — US disclosed
WO-2010085352-A2 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2010-07-29 — — WO disclosed
US-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 — — 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 (3 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-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 MAPT 2457/4885GAA 848/4885POLB 3419/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 MAPT 413/4885GAA 2397/4885POLB 4343/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 MAPT 359/4885GAA 1216/4885POLB 2683/4885

“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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