SCHEMBL21436556

SCHEMBL21436556

COC(=O)c1cc([N+](=O)[O-])c(Nc2ccccc2)c(S(N)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.50
▸ MAPT P10636 5/20 0.47
▸ POLB P06746 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ AKR1C4 P17516 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ HCAR3 P49019 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 2/20 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
SCHEMBL2883308 0.88 HCAR3 (0.55) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL11840178 0.82 MAPT (0.60) MAPTTDP1MEN1KMT2AAKR1C4
SCHEMBL11847173 0.82 MAPT (0.62) MAPTMEN1KMT2AAKR1C4AKR1C3
SCHEMBL11511671 0.81 VCAM1 (0.43) VCAM1MAPTPOLBTDP1MEN1
SCHEMBL11849602 0.81 MAPT (0.51) MAPTTDP1MEN1KMT2AAKR1C3
SCHEMBL11843965 0.81 MAPT (0.51) MAPTPOLBMEN1KMT2AAKR1C3
SCHEMBL11839665 0.80 MAPT (0.52) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL573787 0.80 VCAM1 (0.53) VCAM1MAPTPOLBMEN1KMT2A
SCHEMBL11836594 0.79 KMT2A (0.46) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL2883320 0.79 MAPT (0.49) VCAM1MAPTPOLBMEN1KMT2A

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 5 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
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

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 2158/4885POLB 4425/4885

“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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