SCHEMBL231936

SCHEMBL231936

CCCCCCCCc1c(Cl)c(S(N)(=O)=O)cc(C(=O)O)c1NCc1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 8/20 0.58
ALDH1A1 P00352 2/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
HTR1A P08908 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
HSD11B1 P28845 1/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
SLC10A1 Q14973 1/20 0.58
CA9 Q16790 1/20 0.58
GPR35 Q9HC97 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
APP P05067 9/20 0.56
POLB P06746 1/20 0.46
TSHR P16473 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
Dimethylamine SCHEMBL252725 0.91 CISD1 (0.60) CISD1ALDH1A1CA12CA1CA2
SCHEMBL253696 0.88 ALDH1A1 (0.57) CISD1ALDH1A1CA12CA1CA2
Dimethylamine SCHEMBL230218 0.84 APP (0.55) CISD1ALDH1A1CA12CA1CA2
SCHEMBL230217 0.82 ALDH1A1 (0.52) CISD1ALDH1A1CA12CA1CA2
SCHEMBL228954 0.80 ALDH1A1 (0.48) CISD1ALDH1A1CA12CA1CA2
SCHEMBL253327 0.79 ALDH1A1 (0.46) CISD1ALDH1A1CA12CA1CA2
Furosemide SCHEMBL27607809 0.78 CISD1 (0.81) CISD1ALDH1A1CA12CA1CA2
SCHEMBL11787609 0.77 CISD1 (0.68) CISD1ALDH1A1CA12CA1CA2
Furosemide SCHEMBL230219 0.77 CISD1 (0.76) CISD1ALDH1A1CA12CA1CA2
Furosemide SCHEMBL15061186 0.75 CISD1 (0.98) CISD1ALDH1A1CA12CA1CA2

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 CISD1 3650/4885ALDH1A1 835/4885CA12 1338/4885
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CISD1 3887/4885ALDH1A1 889/4885CA12 1444/4885
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CISD1 3650/4885ALDH1A1 835/4885CA12 1338/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 CISD1 3822/4885ALDH1A1 625/4885CA12 1049/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 CISD1 1251/4885ALDH1A1 1389/4885CA12 2528/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CISD1 1952/4885ALDH1A1 845/4885CA12 2583/4885

“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.