SCHEMBL573293

SCHEMBL573293

COC(=O)c1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N=CN(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.47
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CMA1 P23946 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL573292 1.00 VCAM1 (0.47) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL11547129 0.88 KMT2A (0.44) MAPTKDM4EPOLBALDH1A1LMNA
SCHEMBL11542928 0.87 HCAR3 (0.42) MAPTKDM4EPOLBALDH1A1LMNA
SCHEMBL11510429 0.84 POLB (0.48) VCAM1MAPTPOLBALDH1A1MAPK1
SCHEMBL10224339 0.83 SMN1; SMN2 (0.38) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL573280 0.83 VCAM1 (0.45) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL573281 0.83 VCAM1 (0.45) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL572903 0.82 KDM4E (0.38) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL572902 0.82 KDM4E (0.38) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL11000444 0.82 VCAM1 (0.44) VCAM1MAPTPOLBALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2598478-A2 ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Neurotherapeutics Pharma, Inc. (US) 2013-06-05 — — EP disclosed
WO-2012018635-A2 ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-02-09 — — WO disclosed
US-4492710-A Substituted pyrrolidinyl-benzoic acid derivatives and a process for their manufacture HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-08 — — US disclosed
US-4172142-A DIURETICS FOR TREATMENT OF EDEMA HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-23 — — US 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 (1 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-20210022978-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS SLC9A1, SLC9A3, SLC5A1 VCAM1 1603/4885MAPT 2158/4885KDM4E 3838/4885

“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.

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