SCHEMBL253285

SCHEMBL253285

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.62
KDM4E B2RXH2 2/20 0.62
USP2 O75604 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
HPGD P15428 2/20 0.62
HIF1A Q16665 2/20 0.62
SLC6A4 P31645 1/20 0.62
ERAP1 Q9NZ08 6/20 0.41
ERAP2 Q6P179 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
SLC12A2 P55011 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.38
KCNQ2 O43526 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL252734 0.90 ALDH1A1 (0.49) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL10281109 0.86 ALDH1A1 (0.71) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL11541860 0.84 LMNA (0.74) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL11544970 0.80 ALDH1A1 (0.74) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL253286 0.80 ALDH1A1 (0.62) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL14879786 0.79 ALDH1A1 (0.69) HSD17B10KDM4EUSP2ALDH1A1LMNA
Piretanide SCHEMBL250849 0.78 KDM4E (0.84) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL253149 0.78 KDM4E (0.68) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL14879729 0.78 KDM4E (0.77) HSD17B10KDM4EUSP2ALDH1A1LMNA
SCHEMBL11544834 0.77 KDM4E (0.79) HSD17B10KDM4EUSP2ALDH1A1LMNA

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 HSD17B10 357/4885KDM4E 3557/4885USP2 3459/4885
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 HSD17B10 1162/4885KDM4E 2426/4885USP2 3587/4885
US-20060089350-A1 Methods and compositions for the treatment of neuropsychiatric disorders SLC1A2, SLC18A2, GRIN2C HSD17B10 1793/4885KDM4E 1867/4885USP2 2928/4885
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 HSD17B10 1264/4885KDM4E 2228/4885USP2 3353/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 HSD17B10 957/4885KDM4E 2764/4885USP2 3646/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 HSD17B10 3736/4885KDM4E 3528/4885USP2 4684/4885
US-20070149526-A1 Diuretic and diuretic-like compound analogs AQP4, AVPR2, AQP1 HSD17B10 357/4885KDM4E 3557/4885USP2 3459/4885
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS SLC6A2, SLC1A2, SLC18A2 HSD17B10 1934/4885KDM4E 1504/4885USP2 3752/4885
US-20120108640-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS SLC1A2, SLC18A2, GRIN2C HSD17B10 1793/4885KDM4E 1867/4885USP2 2928/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 HSD17B10 2879/4885KDM4E 3717/4885USP2 4533/4885

“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.