SCHEMBL21436508

SCHEMBL21436508

COC(=O)c1cc(NCc2ccccc2)c(Sc2ccccc2)c(S(=O)(=O)/N=C/N(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HTR6 P50406 1/20 0.36
▸ HIF1A Q16665 2/20 0.35
▸ SENP1 Q9P0U3 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ EIF4H Q15056 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ AQP1 P29972 1/20 0.33
▸ HTT P42858 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
SCHEMBL21436509 1.00 CA1 (0.39) CA1CA2HDAC8HDAC1HDAC6
SCHEMBL21436423 0.90 ALDH1A1 (0.38) CA1CA2HDAC8HDAC1HDAC6
SCHEMBL21436421 0.90 ALDH1A1 (0.38) CA1CA2HDAC8HDAC1HDAC6
SCHEMBL21436660 0.88 CA2 (0.41) CA1CA2HIF1AKDM4EALDH1A1
SCHEMBL21436661 0.88 CA2 (0.41) CA1CA2HIF1AKDM4EALDH1A1
SCHEMBL11512332 0.83 KDM4E (0.42) KDM4EALDH1A1PABPC1EIF4HLMNA
SCHEMBL22922726 0.83 KDM4E (0.42) KDM4EALDH1A1PABPC1EIF4HLMNA
SCHEMBL11205955 0.80 CA1 (0.40) CA1CA2HDAC8HDAC1HDAC6
SCHEMBL21437398 0.80 MAPT (0.43) ALDH1A1PABPC1EIF4HLMNAKMT2A
SCHEMBL11543240 0.80 MAPT (0.43) ALDH1A1PABPC1EIF4HLMNAKMT2A

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
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 CA1 3002/4885CA2 393/4885HDAC8 3640/4885

“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.

Send feedback