SCHEMBL21436404

SCHEMBL21436404

COC(=O)c1cc(N(Cc2ccccc2)Cc2ccccc2)c(-c2ccsc2)c(S(=O)(=O)/N=C/N(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KAT6A Q92794 1/20 0.34
▸ ACLY P53396 2/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL21436405 1.00 NR3C1 (0.41) NR3C1KDM4EALDH1A1MEN1KMT2A
SCHEMBL11197357 0.81 KDM4E (0.37) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL21436402 0.81 KDM4E (0.37) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL574692 0.79 L3MBTL1 (0.40) KDM4EALDH1A1MEN1KMT2AACLY
SCHEMBL574691 0.79 L3MBTL1 (0.40) KDM4EALDH1A1MEN1KMT2AACLY
SCHEMBL21436486 0.78 VCAM1 (0.43) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL21436487 0.78 VCAM1 (0.43) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL21436403 0.77 KDM4E (0.35) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL574057 0.74 LPAR1 (0.39) NR3C1KDM4EALDH1A1CNR2LMNA
SCHEMBL574058 0.74 LPAR1 (0.39) NR3C1KDM4EALDH1A1CNR2LMNA

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 NR3C1 893/4885KDM4E 3838/4885ALDH1A1 692/4885

“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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