SCHEMBL230175

SCHEMBL230175

COC(=O)c1c(S)c(N2CCCC2)c(Oc2ccccc2)c(S(N)(=O)=O)c1S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
USP2 O75604 2/20 0.45
LMNA P02545 2/20 0.45
HIF1A Q16665 2/20 0.45
SLC6A4 P31645 1/20 0.45
CA2 P00918 7/20 0.38
CA1 P00915 6/20 0.38
CA12 O43570 5/20 0.38
CA7 P43166 4/20 0.38
CA13 Q8N1Q1 2/20 0.38
CA9 Q16790 5/20 0.34
CA5A P35218 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL230213 0.89 ALDH1A1 (0.51) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL230347 0.84 ALDH1A1 (0.41) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL4773810 0.83 ALDH1A1 (0.38) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL11545699 0.75 KDM4E (0.43) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL231099 0.73 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL230185 0.70 ALDH1A1 (0.80) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL11543235 0.65 KDM4E (0.58) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL231978 0.65 CA2 (0.54) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL14881297 0.64 ALDH1A1 (0.63) KDM4EHSD17B10ALDH1A1HPGDUSP2
SCHEMBL11542238 0.64 ALDH1A1 (0.63) KDM4EHSD17B10ALDH1A1HPGDUSP2

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 14 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-20120234721-A1 DIURETIC AND DIURETIC-LIKE COMPOUND ANALOGS NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-09-20 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
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NEUROTHERAPEUTICS PHARMA, INC. 2009-08-27 US disclosed
EP-1951702-A2 DIURETIC-LIKE COMPOUND ANALOGS USEFUL FOR REGULATION OF CENTRAL NERVOUS SYSTEM DISORDERS NeuroTherapeutics Pharma, Inc. (US) 2008-08-06 EP disclosed
US-20070149526-A1 Diuretic and diuretic-like compound analogs NEUROTHERAPEUTICS PHARMA, L.L.C. 2007-06-28 US disclosed
WO-2007047447-A2 DIURETIC-LIKE COMPOUND ANALOGS USEFUL FOR REGULATION OF CENTRAL NERVOUS SYSTEM DISORDERS NEUROTHERAPEUTICS PHARMA, INC. (US) 2007-04-26 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 (9 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-20120234721-A1 DIURETIC AND DIURETIC-LIKE COMPOUND ANALOGS AQP4, AVPR2, AQP1 KDM4E 3557/4885HSD17B10 357/4885ALDH1A1 687/4885
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 2426/4885HSD17B10 1162/4885ALDH1A1 835/4885
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 2228/4885HSD17B10 1264/4885ALDH1A1 889/4885
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 2426/4885HSD17B10 1162/4885ALDH1A1 835/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 KDM4E 2764/4885HSD17B10 957/4885ALDH1A1 625/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 KDM4E 3528/4885HSD17B10 3736/4885ALDH1A1 1389/4885
US-20070149526-A1 Diuretic and diuretic-like compound analogs AQP4, AVPR2, AQP1 KDM4E 3557/4885HSD17B10 357/4885ALDH1A1 687/4885
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS SLC6A2, SLC1A2, SLC18A2 KDM4E 1504/4885HSD17B10 1934/4885ALDH1A1 701/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 3717/4885HSD17B10 2879/4885ALDH1A1 845/4885

“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.