SCHEMBL230076

SCHEMBL230076

NS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc(N2CCCC2)c1Oc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.72
USP2 O75604 2/20 0.72
ALDH1A1 P00352 2/20 0.72
LMNA P02545 2/20 0.72
HPGD P15428 2/20 0.72
HIF1A Q16665 2/20 0.72
HSD17B10 Q99714 2/20 0.72
SLC6A4 P31645 1/20 0.72
LPAR1 Q92633 11/20 0.42
LPAR5 Q9H1C0 10/20 0.42
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
SLC12A2 P55011 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
F10 P00742 1/20 0.40
PTGS2 P35354 2/20 0.37
PTGES O14684 1/20 0.37

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
SCHEMBL29436049 0.89 KDM4E (0.74) KDM4EUSP2ALDH1A1LMNAHPGD
Piretanide SCHEMBL49473 0.84 KDM4E (1.00) KDM4EUSP2ALDH1A1LMNAHPGD
Piretanide SCHEMBL30230376 0.84 KDM4E (1.00) KDM4EUSP2ALDH1A1LMNAHPGD
Piretanide SCHEMBL1741994 0.84 KDM4E (1.00) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL2741891 0.83 KDM4E (0.98) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL231996 0.83 ALDH1A1 (0.85) KDM4EUSP2ALDH1A1LMNAHPGD
Piretanide SCHEMBL9837127 0.83 KDM4E (0.98) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL230205 0.83 LMNA (0.74) KDM4EUSP2ALDH1A1LMNAHPGD
Piretanide SCHEMBL251053 0.82 KDM4E (0.82) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL16581077 0.82 ALDH1A1 (0.83) KDM4EUSP2ALDH1A1LMNAHPGD

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 22 patents — showing the first 20. 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-20120108640-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-05-03 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
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NEUROTHERAPEUTICS PHARMA, INC. 2009-08-27 US disclosed
EP-1874286-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANXIETY DISORDERS NEUROTHERAPEUTICS PHARMA INC (US) 2009-07-01 EP 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
EP-1937242-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NeuroTherapeutics Pharma, Inc. (US) 2008-07-02 EP disclosed
EP-1874286-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANXIETY DISORDERS Neurotherapeutics Pharma LLC (US) 2008-01-09 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
WO-2007047698-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NEUROTHERAPEUTICS PHARMA, INC. (US) 2007-04-26 WO disclosed
WO-2006110187-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANXIETY DISORDERS NEUROTHERAPEUTICS PHARMA LLC (US) 2006-10-19 WO disclosed
US-20060089350-A1 Methods and compositions for the treatment of neuropsychiatric disorders NEUROTHERAPEUTICS PHARMA LLC (US) 2006-04-27 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 (11 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 3557/4885USP2 3459/4885ALDH1A1 687/4885
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 2426/4885USP2 3587/4885ALDH1A1 835/4885
US-20060089350-A1 Methods and compositions for the treatment of neuropsychiatric disorders SLC1A2, SLC18A2, GRIN2C KDM4E 1867/4885USP2 2928/4885ALDH1A1 1109/4885
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 2228/4885USP2 3353/4885ALDH1A1 889/4885
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 2426/4885USP2 3587/4885ALDH1A1 835/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 KDM4E 2764/4885USP2 3646/4885ALDH1A1 625/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 KDM4E 3528/4885USP2 4684/4885ALDH1A1 1389/4885
US-20070149526-A1 Diuretic and diuretic-like compound analogs AQP4, AVPR2, AQP1 KDM4E 3557/4885USP2 3459/4885ALDH1A1 687/4885
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS SLC6A2, SLC1A2, SLC18A2 KDM4E 1504/4885USP2 3752/4885ALDH1A1 701/4885
US-20120108640-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS SLC1A2, SLC18A2, GRIN2C KDM4E 1867/4885USP2 2928/4885ALDH1A1 1109/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 3717/4885USP2 4533/4885ALDH1A1 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.