SCHEMBL573640

SCHEMBL573640

NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
LMNA P02545 3/20 0.58
ALDH1A1 P00352 3/20 0.58
USP2 O75604 2/20 0.58
HPGD P15428 2/20 0.58
HIF1A Q16665 2/20 0.58
HSD17B10 Q99714 2/20 0.58
SLC6A4 P31645 1/20 0.58
CA2 P00918 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TSHR P16473 1/20 0.54
BLM P54132 1/20 0.54
SLC12A2 P55011 1/20 0.54
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA9 Q16790 2/20 0.51
TPMT P51580 1/20 0.48
HPSE Q9Y251 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.43

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
SCHEMBL11840209 0.91 CA2 (0.50) KDM4ELMNAALDH1A1USP2HPGD
SCHEMBL11849986 0.90 CA2 (0.49) KDM4ELMNAALDH1A1USP2HPGD
SCHEMBL15677242 0.90 CA2 (0.49) KDM4ELMNAALDH1A1USP2HPGD
SCHEMBL11543992 0.89 TPMT (0.54) KDM4ELMNAALDH1A1USP2HPGD
SCHEMBL572967 0.89 LMNA (0.47) KDM4ELMNAALDH1A1USP2HPGD
SCHEMBL11547853 0.89 LMNA (0.52) KDM4ELMNAALDH1A1USP2HPGD
SCHEMBL11547921 0.89 ALDH1A1 (0.47) KDM4ELMNAALDH1A1USP2HPGD
SCHEMBL11849551 0.89 ALDH1A1 (0.47) KDM4ELMNAALDH1A1USP2HPGD
SCHEMBL573787 0.88 VCAM1 (0.53) KDM4ELMNAALDH1A1USP2HPGD
SCHEMBL11853767 0.88 CA2 (0.48) KDM4ELMNAALDH1A1USP2HPGD

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534594-A Bumetanide intermediate and preparation method thereof 宁波大红鹰药业股份有限公司 2024-02-09 CN claimed
CN-117567326-A Preparation method of bumetanide 山东诺明康药物研究院有限公司 2024-02-20 CN disclosed
CN-117534594-A Bumetanide intermediate and preparation method thereof 宁波大红鹰药业股份有限公司 2024-02-09 CN disclosed
CN-117534594-A Bumetanide intermediate and preparation method thereof 宁波大红鹰药业股份有限公司 2024-02-09 CN 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
CN-105566175-A Preparation method of 4-phenoxyl-5-aminosulfonyl-3-nitrobenzoic acid NANJING ZHUOTAI PHARMACEUTICAL CO LTD 2016-05-11 CN disclosed
CN-105566175-A Preparation method of 4-phenoxyl-5-aminosulfonyl-3-nitrobenzoic acid NANJING ZHUOTAI PHARMACEUTICAL CO LTD 2016-05-11 CN disclosed
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS INC. 2015-03-19 US disclosed
US-20140128469-A1 DEUTERATED N-BUTYL BUMETANIDE CONCERT PHARMACEUTICALS INC. (US) 2014-05-08 US disclosed
US-20080262086-A1 SUBSTITUTED ANTHRANILIC ACIDS AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-4596791-A Containing heterocyclic fused ring USV PHARMACEUTICAL CORP. (US) 1986-06-24 US disclosed
EP-0127124-A2 Compounds for treating hypertension USV PHARMACEUTICAL CORPORATION (US) 1984-12-05 EP disclosed
EP-0121830-A2 Substituted dipeptides as antihypertensives USV PHARMACEUTICAL CORPORATION (US) 1984-10-17 EP 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
US-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 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-20080262086-A1 SUBSTITUTED ANTHRANILIC ACIDS GLS, ASNS, REN KDM4E 3887/4885LMNA 2117/4885ALDH1A1 1760/4885
US-20140128469-A1 DEUTERATED N-BUTYL BUMETANIDE ABCB11, SLC10A1, CYP11B1 KDM4E 1517/4885LMNA 3810/4885ALDH1A1 273/4885
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 2228/4885LMNA 3992/4885ALDH1A1 889/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 3717/4885LMNA 3842/4885ALDH1A1 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.