SCHEMBL230554

SCHEMBL230554

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

nearest known ligand 0.84

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 0.70
PTGS2 P35354 16/20 0.68
CISD1 Q9NZ45 1/20 0.45
SLC6A4 P31645 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
SCHEMBL19300075 0.93 KDM4E (0.83) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL22971474 0.92 KDM4E (0.81) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11784497 0.92 KDM4E (0.81) KDM4EUSP2ALDH1A1LMNAHPGD
Bumetanide SCHEMBL27525 0.92 KDM4E (1.00) KDM4EUSP2ALDH1A1LMNAHPGD
Bumetanide SCHEMBL4425232 0.92 KDM4E (1.00) KDM4EUSP2ALDH1A1LMNAHPGD
Bumetanide SCHEMBL29388271 0.92 KDM4E (1.00) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL2876098 0.91 KDM4E (0.80) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11788796 0.91 KDM4E (0.80) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL27827714 0.91 KDM4E (0.80) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11787665 0.91 LMNA (0.70) 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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025215115-A1 COMPOUNDS FOR USE THE TREATMENT OF CANCER, NEURODEGENERATIVE DISEASES, PSYCHIATRIC DISORDERS, INFLAMMATION, EPILEPSY AND SEIZURES B&A ONCOMEDICAL (FR) 2025-10-16 WO disclosed
EP-4601744-A1 NEW COMPOUNDS, PROCESSES FOR PREPARING THE SAME AND THEIR USE AS DRUGS B&A Oncomedical (FR) 2025-08-20 EP disclosed
WO-2024079128-A1 NEW COMPOUNDS, PROCESSES FOR PREPARING THE SAME AND THEIR USE AS DRUGS B&A ONCOMEDICAL (FR) 2024-04-18 WO disclosed
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2024-01-11 US disclosed
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2022-03-10 US disclosed
CN-112969692-A Bumetanide derivatives for the treatment of hyperhidrosis 兹伦汀公司 2021-06-15 CN disclosed
EP-3774763-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS ZILENTIN AG (CH) 2021-02-17 EP disclosed
US-20210022978-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS Zilentin AG (CH) 2021-01-28 US disclosed
WO-2019193159-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS Universität Wien (AT) 2019-10-10 WO disclosed
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2019-05-23 US disclosed
US-20070149526-A1 Diuretic and diuretic-like compound analogs NEUROTHERAPEUTICS PHARMA, L.L.C. 2007-06-28 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-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
WO-2007047698-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE 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
US-3991097-A BORON HYDRIDE OR METAL BOROHYDRIDES AS REDUCING AGENT, LEWIS ACID HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-09 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 (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-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 2426/4885USP2 3587/4885ALDH1A1 835/4885
US-20060089350-A1 Methods and compositions for the treatment of neuropsychiatric disorders SLC1A2, SLC18A2, GRIN2C KDM4E 1867/4885USP2 2928/4885ALDH1A1 1109/4885
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 2426/4885USP2 3587/4885ALDH1A1 835/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 KDM4E 2764/4885USP2 3646/4885ALDH1A1 625/4885
US-20070149526-A1 Diuretic and diuretic-like compound analogs AQP4, AVPR2, AQP1 KDM4E 3557/4885USP2 3459/4885ALDH1A1 687/4885
US-20210022978-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS SLC9A1, SLC9A3, SLC5A1 KDM4E 3838/4885USP2 3125/4885ALDH1A1 692/4885

“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.