SCHEMBL1743067

SCHEMBL1743067

CCCCNc1cc(C(=O)Nc2ccccc2)cc(S(N)(=O)=O)c1Oc1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.88
KDM4E B2RXH2 1/20 0.80
USP2 O75604 1/20 0.80
ALDH1A1 P00352 1/20 0.80
CA2 P00918 1/20 0.80
LMNA P02545 1/20 0.80
HPGD P15428 1/20 0.80
TSHR P16473 1/20 0.80
BLM P54132 1/20 0.80
SLC12A2 P55011 1/20 0.80
HIF1A Q16665 1/20 0.80
NPSR1 Q6W5P4 1/20 0.80
HSD17B10 Q99714 1/20 0.80
PTGS2 P35354 16/20 0.65
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL21436882 0.94 AQP1 (0.81) AQP1KDM4EUSP2ALDH1A1CA2
SCHEMBL12508360 0.94 AQP1 (1.00) AQP1KDM4EUSP2ALDH1A1CA2
SCHEMBL31704475 0.91 CA2 (0.84) AQP1KDM4EUSP2ALDH1A1CA2
SCHEMBL11374781 0.91 CA2 (0.84) AQP1KDM4EUSP2ALDH1A1CA2
Bumetanide SCHEMBL250621 0.89 KDM4E (0.96) AQP1KDM4EUSP2ALDH1A1CA2
Bumetanide SCHEMBL29388271 0.89 KDM4E (1.00) AQP1KDM4EUSP2ALDH1A1CA2
Bumetanide SCHEMBL27525 0.89 KDM4E (1.00) AQP1KDM4EUSP2ALDH1A1CA2
Bumetanide SCHEMBL4425232 0.89 KDM4E (1.00) AQP1KDM4EUSP2ALDH1A1CA2
SCHEMBL31705134 0.88 CA2 (0.80) AQP1KDM4EUSP2ALDH1A1CA2
Bumetanide SCHEMBL23455698 0.88 KDM4E (0.98) AQP1KDM4EUSP2ALDH1A1CA2

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 6 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-2389371-A2 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE Neurotherapeutics Pharma, Inc. (US) 2011-11-30 EP 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

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 AQP1 257/4885KDM4E 3838/4885USP2 3125/4885

“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.