SCHEMBL2883308

SCHEMBL2883308

NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.55
▸ MAPT P10636 4/20 0.52
▸ POLB P06746 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KMT2A Q03164 6/20 0.50
▸ MEN1 O00255 5/20 0.50
▸ HSP90AA1 P07900 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CXCR2 P25025 2/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ AR P10275 1/20 0.44
▸ AKR1C4 P17516 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44

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
SCHEMBL11849602 0.93 MAPT (0.51) HCAR3MAPTTDP1KMT2AMEN1
SCHEMBL11836594 0.90 KMT2A (0.46) HCAR3MAPTPOLBTDP1KMT2A
SCHEMBL11849870 0.89 KMT2A (0.45) HCAR3MAPTPOLBKMT2AMEN1
SCHEMBL11843965 0.89 MAPT (0.51) HCAR3MAPTPOLBKMT2AMEN1
SCHEMBL11839665 0.89 MAPT (0.52) HCAR3MAPTPOLBTDP1KMT2A
SCHEMBL11848500 0.89 KMT2A (0.50) HCAR3MAPTPOLBTDP1KMT2A
SCHEMBL21436556 0.88 VCAM1 (0.50) HCAR3MAPTPOLBTDP1KMT2A
SCHEMBL11783509 0.87 MAPT (0.60) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL11852448 0.86 HCAR3 (0.54) HCAR3MAPTPOLBKMT2AMEN1
SCHEMBL11840178 0.86 MAPT (0.60) MAPTTDP1KMT2AMEN1LMNA

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 HCAR3 280/4885MAPT 2457/4885POLB 3419/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 HCAR3 751/4885MAPT 413/4885POLB 4343/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 HCAR3 465/4885MAPT 359/4885POLB 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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