SCHEMBL230677

SCHEMBL230677

NS(=O)(=O)c1cc(C(=O)NCCN2CCCCC2)c(NCc2ccco2)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.65
CA1 P00915 7/20 0.65
CA2 P00918 7/20 0.65
CA6 P23280 7/20 0.65
CA7 P43166 7/20 0.65
CA9 Q16790 7/20 0.65
CA5B Q9Y2D0 7/20 0.65
CA14 Q9ULX7 6/20 0.65
CA5A P35218 6/20 0.65
ALDH1A1 P00352 2/20 0.65
HTR1A P08908 1/20 0.65
CA4 P22748 1/20 0.65
HSD11B1 P28845 1/20 0.65
SLC10A1 Q14973 1/20 0.65
GPR35 Q9HC97 1/20 0.65
CISD1 Q9NZ45 1/20 0.65
ABCG2 Q9UNQ0 1/20 0.65
APP P05067 8/20 0.54
CA3 P07451 6/20 0.53
CA13 Q8N1Q1 6/20 0.53

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
SCHEMBL12508290 0.92 CA12 (0.64) CA12CA1CA2CA6CA7
SCHEMBL29436058 0.86 CA12 (0.69) CA12CA1CA2CA6CA7
SCHEMBL14369223 0.85 CA12 (0.74) CA12CA1CA2CA6CA7
SCHEMBL11830205 0.84 APP (0.62) CA12CA1CA2CA6CA7
Furosemide SCHEMBL232277 0.83 CISD1 (0.77) CA12CA1CA2CA6CA7
SCHEMBL4416102 0.83 CA12 (0.77) CA12CA1CA2CA6CA7
SCHEMBL2880507 0.83 CA12 (0.73) CA12CA1CA2CA6CA7
SCHEMBL29436031 0.82 CA12 (0.76) CA12CA1CA2CA6CA7
SCHEMBL10837475 0.82 CA12 (0.82) CA12CA1CA2CA6CA7
SCHEMBL29436046 0.81 CA1 (0.79) CA12CA1CA2CA6CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2024-01-11 US disclosed
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2022-03-10 US disclosed
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2019-05-23 US disclosed
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
EP-2389371-A2 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE Neurotherapeutics Pharma, Inc. (US) 2011-11-30 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA12 1338/4885CA1 988/4885CA2 489/4885
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA12 1444/4885CA1 1022/4885CA2 471/4885
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA12 1338/4885CA1 988/4885CA2 489/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 CA12 1049/4885CA1 701/4885CA2 388/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 CA12 2528/4885CA1 1755/4885CA2 1572/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CA12 2583/4885CA1 1762/4885CA2 1422/4885

“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.