SCHEMBL2880587

SCHEMBL2880587

CCCCNc1cc(C(=O)Cl)cc(S(N)(=O)=O)c1Oc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.84
USP2 O75604 1/20 0.84
ALDH1A1 P00352 1/20 0.84
CA2 P00918 1/20 0.84
LMNA P02545 1/20 0.84
HPGD P15428 1/20 0.84
TSHR P16473 1/20 0.84
BLM P54132 1/20 0.84
SLC12A2 P55011 1/20 0.84
HIF1A Q16665 1/20 0.84
NPSR1 Q6W5P4 1/20 0.84
HSD17B10 Q99714 1/20 0.84
AQP1 P29972 1/20 0.70
PTGS2 P35354 16/20 0.68
CISD1 Q9NZ45 2/20 0.47

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 SCHEMBL29388271 0.92 KDM4E (1.00) KDM4EUSP2ALDH1A1CA2LMNA
Bumetanide SCHEMBL27525 0.92 KDM4E (1.00) KDM4EUSP2ALDH1A1CA2LMNA
Bumetanide SCHEMBL4425232 0.92 KDM4E (1.00) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL2874418 0.91 KDM4E (0.79) KDM4EUSP2ALDH1A1CA2LMNA
Bumetanide SCHEMBL23455698 0.91 KDM4E (0.98) KDM4EUSP2ALDH1A1CA2LMNA
Bumetanide SCHEMBL251062 0.91 KDM4E (0.98) KDM4EUSP2ALDH1A1CA2LMNA
Bumetanide SCHEMBL2255359 0.91 KDM4E (0.98) KDM4EUSP2ALDH1A1CA2LMNA
Bumetanide SCHEMBL28661289 0.91 KDM4E (0.98) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL230651 0.91 KDM4E (0.86) KDM4EUSP2ALDH1A1CA2LMNA
Bumetanide SCHEMBL6239781 0.91 KDM4E (0.98) KDM4EUSP2ALDH1A1CA2LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-01-05 US disclosed
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NEUROTHERAPEUTICS PHARMA, INC. 2009-08-27 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 2228/4885USP2 3353/4885ALDH1A1 889/4885
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-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.