SCHEMBL2741891

SCHEMBL2741891

NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCCC2)c1Oc1ccccc1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.98
HSD17B10 Q99714 3/20 0.98
USP2 O75604 2/20 0.98
ALDH1A1 P00352 2/20 0.98
LMNA P02545 2/20 0.98
HPGD P15428 2/20 0.98
HIF1A Q16665 2/20 0.98
SLC6A4 P31645 1/20 0.98
TSHR P16473 2/20 0.51
CA2 P00918 1/20 0.51
BLM P54132 1/20 0.51
SLC12A2 P55011 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ERAP1 Q9NZ08 4/20 0.44
ERAP2 Q6P179 1/20 0.44
GAA P10253 2/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP2 P08253 1/20 0.40

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
Piretanide SCHEMBL30230376 0.99 KDM4E (1.00) KDM4EHSD17B10USP2ALDH1A1LMNA
Piretanide SCHEMBL1741994 0.99 KDM4E (1.00) KDM4EHSD17B10USP2ALDH1A1LMNA
Piretanide SCHEMBL49473 0.99 KDM4E (1.00) KDM4EHSD17B10USP2ALDH1A1LMNA
Piretanide SCHEMBL9837127 0.98 KDM4E (0.98) KDM4EHSD17B10USP2ALDH1A1LMNA
Piretanide SCHEMBL7895002 0.97 KDM4E (0.95) KDM4EHSD17B10USP2ALDH1A1LMNA
Piretanide SCHEMBL18075706 0.97 KDM4E (0.95) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11542770 0.96 KDM4E (0.95) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11546942 0.94 LMNA (0.91) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11543210 0.91 KDM4E (0.81) KDM4EHSD17B10USP2ALDH1A1LMNA
SCHEMBL11542957 0.91 KDM4E (0.81) KDM4EHSD17B10USP2ALDH1A1LMNA

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 16 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-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-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-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS INC. 2015-03-19 US disclosed
WO-2013059648-A1 2,3,5 TRISUBSTITUTED ARYL AND HETEROARYL AMINO DERIVATIVES, COMPOSITIONS, AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2013-04-25 WO 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-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-01-05 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-4161531-A Diuretic and saluretic 5-sulfamoylbenzoic acid derivatives carrying a heterocyclic substituent HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 US disclosed
US-4118397-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4111953-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed
US-4093735-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-06 US disclosed
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 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 (4 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 2228/4885HSD17B10 1264/4885USP2 3353/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 KDM4E 2764/4885HSD17B10 957/4885USP2 3646/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 KDM4E 3528/4885HSD17B10 3736/4885USP2 4684/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 3717/4885HSD17B10 2879/4885USP2 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.