Bumetanide

Bumetanide

SCHEMBL229082

CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1.C[N+](C)(C)Cc1ccccc1

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC12A1

The experimentally established mechanism targets of Bumetanide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.84
USP2 O75604 2/20 0.84
ALDH1A1 P00352 2/20 0.84
LMNA P02545 2/20 0.84
HPGD P15428 2/20 0.84
HIF1A Q16665 2/20 0.84
HSD17B10 Q99714 2/20 0.84
CA2 P00918 1/20 0.84
TSHR P16473 1/20 0.84
BLM P54132 1/20 0.84
SLC12A2 P55011 1/20 0.84
NPSR1 Q6W5P4 1/20 0.84
AQP1 P29972 1/20 0.63
PTGS2 P35354 16/20 0.61
SLC6A4 P31645 1/20 0.45
CISD1 Q9NZ45 1/20 0.42

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
Bumetanide SCHEMBL230014 0.93 CA2 (0.72) KDM4EUSP2ALDH1A1LMNAHPGD
Bumetanide SCHEMBL4425232 0.92 KDM4E (1.00) KDM4EUSP2ALDH1A1LMNAHPGD
Bumetanide SCHEMBL29388271 0.92 KDM4E (1.00) KDM4EUSP2ALDH1A1LMNAHPGD
Bumetanide SCHEMBL27525 0.92 KDM4E (1.00) KDM4EUSP2ALDH1A1LMNAHPGD
Bumetanide SCHEMBL23455698 0.91 KDM4E (0.98) KDM4EUSP2ALDH1A1LMNAHPGD
Bumetanide SCHEMBL6239781 0.91 KDM4E (0.98) KDM4EUSP2ALDH1A1LMNAHPGD
Bumetanide SCHEMBL251062 0.91 KDM4E (0.98) KDM4EUSP2ALDH1A1LMNAHPGD
Bumetanide SCHEMBL2255359 0.91 KDM4E (0.98) KDM4EUSP2ALDH1A1LMNAHPGD
Bumetanide SCHEMBL28661289 0.91 KDM4E (0.98) KDM4EUSP2ALDH1A1LMNAHPGD
Bumetanide SCHEMBL250621 0.90 KDM4E (0.96) 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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210137875-A1 TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM OTOLANUM AG (CH) 2021-05-13 US claimed
EP-2790686-B1 TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM Zilentin AG (CH) 2021-03-10 EP claimed
EP-2919769-B1 MODULATORS OF INTRACELLULAR CHLORIDE CONCENTRATION FOR TREATING FRAGILE X SYNDROME NEUROCHLORE (FR) 2020-09-09 EP claimed
US-10709682-B2 Treatment of tinnitus through modulation of chloride co-transporter NKCC1 in the auditory system OTOLANUM AG (CH) 2020-07-14 US claimed
US-10201507-B2 Modulators of intracellular chloride concentration for treating fragile X syndrome NEUROCHLORE (FR) 2019-02-12 US claimed
US-20180360797-A1 TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM EBERHARD-KARLS-UNIVERSITAT TUBINGEN UNIVERSITATSKLINIKUM (DE) 2018-12-20 US claimed
EP-2523661-B1 NKCC INHIBITORS FOR THE TREATMENT OF AUTISM INSERM (INSTITUT NAT DE LA SANTÉ ET DE LA RECH MÉDICALE) (FR) 2017-05-10 EP claimed
WO-2017042314-A1 METHODS AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF POST-TRAUMATIC EPILEPSIES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-03-16 WO claimed
US-20160271098-A1 TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM EBERHARD-KARLS-UNIVERSITAT TUBINGEN UNIVERSITATSKLINIKUM (DE) 2016-09-22 US claimed
US-20150044200-A1 TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM OTOLANUM AG (CH) 2015-02-12 US claimed
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NEUROTHERAPEUTICS PHARMA, INC. 2009-08-27 US claimed
EP-1874286-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANXIETY DISORDERS NEUROTHERAPEUTICS PHARMA INC (US) 2009-07-01 EP claimed
EP-1951702-A2 DIURETIC-LIKE COMPOUND ANALOGS USEFUL FOR REGULATION OF CENTRAL NERVOUS SYSTEM DISORDERS NeuroTherapeutics Pharma, Inc. (US) 2008-08-06 EP claimed
EP-1937242-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NeuroTherapeutics Pharma, Inc. (US) 2008-07-02 EP claimed
EP-1874286-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANXIETY DISORDERS Neurotherapeutics Pharma LLC (US) 2008-01-09 EP claimed
US-20070149526-A1 Diuretic and diuretic-like compound analogs NEUROTHERAPEUTICS PHARMA, L.L.C. 2007-06-28 US claimed
WO-2007047698-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NEUROTHERAPEUTICS PHARMA, INC. (US) 2007-04-26 WO claimed
WO-2007047447-A2 DIURETIC-LIKE COMPOUND ANALOGS USEFUL FOR REGULATION OF CENTRAL NERVOUS SYSTEM DISORDERS NEUROTHERAPEUTICS PHARMA, INC. (US) 2007-04-26 WO claimed
WO-2006110187-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ANXIETY DISORDERS NEUROTHERAPEUTICS PHARMA LLC (US) 2006-10-19 WO claimed
US-20060089350-A1 Methods and compositions for the treatment of neuropsychiatric disorders NEUROTHERAPEUTICS PHARMA LLC (US) 2006-04-27 US claimed

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-20180360797-A1 TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM SLC6A1, SLC6A11, SLC6A13 KDM4E 3359/4885USP2 3633/4885ALDH1A1 1235/4885
US-20160271098-A1 TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM SLC6A1, SLC6A11, SLC6A13 KDM4E 3398/4885USP2 3816/4885ALDH1A1 1244/4885
US-20060089350-A1 Methods and compositions for the treatment of neuropsychiatric disorders SLC1A2, SLC18A2, GRIN2C KDM4E 1867/4885USP2 2928/4885ALDH1A1 1109/4885
US-10201507-B2 Modulators of intracellular chloride concentration for treating fragile X syndrome SLC8B1, SLC6A1, SLC8A1 KDM4E 4084/4885USP2 2938/4885ALDH1A1 4758/4885
US-20210137875-A1 TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM SLC6A1, SLC6A13, SLC6A11 KDM4E 3327/4885USP2 3557/4885ALDH1A1 1240/4885
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-10709682-B2 Treatment of tinnitus through modulation of chloride co-transporter NKCC1 in the auditory system SLC6A1, SLC6A11, SLC6A13 KDM4E 3378/4885USP2 3653/4885ALDH1A1 1220/4885
US-20150044200-A1 TREATMENT OF TINNITUS THROUGH MODULATION OF CHLORIDE CO-TRANSPORTER NKCC1 IN THE AUDITORY SYSTEM SLC6A1, SLC6A11, SLC6A13 KDM4E 3378/4885USP2 3653/4885ALDH1A1 1220/4885

“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.