SCHEMBL21436423

SCHEMBL21436423

COC(=O)c1cc(NCc2ccccc2)c(Sc2ncccn2)c(S(=O)(=O)N=CN(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ SENP1 Q9P0U3 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ BRS3 P32247 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL21436421 1.00 ALDH1A1 (0.38) ALDH1A1KDM4ECA1CA2HDAC1
SCHEMBL21436509 0.90 CA1 (0.39) ALDH1A1KDM4ECA1CA2HDAC1
SCHEMBL21436508 0.90 CA1 (0.39) ALDH1A1KDM4ECA1CA2HDAC1
SCHEMBL21436385 0.85 KDM4E (0.35) ALDH1A1KDM4ECA2LMNAHPGD
SCHEMBL21436389 0.85 KDM4E (0.35) ALDH1A1KDM4ECA2LMNAHPGD
SCHEMBL21436644 0.81 KDM4E (0.38) ALDH1A1KDM4ELMNAHPGDUSP2
SCHEMBL21436642 0.81 KDM4E (0.38) ALDH1A1KDM4ELMNAHPGDUSP2
SCHEMBL21436660 0.78 CA2 (0.41) ALDH1A1KDM4ECA1CA2LMNA
SCHEMBL21436661 0.78 CA2 (0.41) ALDH1A1KDM4ECA1CA2LMNA
SCHEMBL11205955 0.78 CA1 (0.40) ALDH1A1KDM4ECA1CA2HDAC1

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 4 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

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 ALDH1A1 692/4885KDM4E 3838/4885CA1 3002/4885

“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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