SCHEMBL253286

SCHEMBL253286

CN(C)CCCNS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 5/20 0.62
LMNA P02545 3/20 0.62
USP2 O75604 2/20 0.62
HPGD P15428 2/20 0.62
HIF1A Q16665 2/20 0.62
HSD17B10 Q99714 2/20 0.62
SLC6A4 P31645 1/20 0.62
POLB P06746 2/20 0.44
PKM P14618 1/20 0.44
SFRP1 Q8N474 1/20 0.43
CA2 P00918 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
SLC12A2 P55011 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ERAP1 Q9NZ08 2/20 0.41
ERAP2 Q6P179 1/20 0.41
GUSB P08236 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL252735 0.90 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL11541860 0.82 LMNA (0.74) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL10281109 0.81 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL11544970 0.80 ALDH1A1 (0.74) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL253285 0.80 HSD17B10 (0.62) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL253150 0.79 KDM4E (0.69) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL2741947 0.79 KDM4E (0.49) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL14879729 0.78 KDM4E (0.77) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL5545835 0.78 ALDH1A1 (0.66) ALDH1A1KDM4ELMNAUSP2HPGD
SCHEMBL14879786 0.77 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAUSP2HPGD

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 19 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-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-8008283-B2 Methods and compositions for the treatment of neuropsychiatric disorders NEUROTHERAPEUTICS PHARMA, INC. (US) 2011-08-30 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-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-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-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 (10 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 ALDH1A1 687/4885KDM4E 3557/4885LMNA 3676/4885
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 ALDH1A1 835/4885KDM4E 2426/4885LMNA 4006/4885
US-20060089350-A1 Methods and compositions for the treatment of neuropsychiatric disorders SLC1A2, SLC18A2, GRIN2C ALDH1A1 1109/4885KDM4E 1867/4885LMNA 3939/4885
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 ALDH1A1 889/4885KDM4E 2228/4885LMNA 3992/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 ALDH1A1 625/4885KDM4E 2764/4885LMNA 4297/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 ALDH1A1 1389/4885KDM4E 3528/4885LMNA 3023/4885
US-20070149526-A1 Diuretic and diuretic-like compound analogs AQP4, AVPR2, AQP1 ALDH1A1 687/4885KDM4E 3557/4885LMNA 3676/4885
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS SLC6A2, SLC1A2, SLC18A2 ALDH1A1 701/4885KDM4E 1504/4885LMNA 4437/4885
US-20120108640-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS SLC1A2, SLC18A2, GRIN2C ALDH1A1 1109/4885KDM4E 1867/4885LMNA 3939/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 ALDH1A1 845/4885KDM4E 3717/4885LMNA 3842/4885

“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.