SCHEMBL21436486

SCHEMBL21436486

COC(=O)c1cc([N+](=O)[O-])c(-c2ccsc2)c(S(=O)(=O)/N=C/N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.43
▸ KMT2A Q03164 2/20 0.37
▸ SLC10A6 Q3KNW5 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ERN1 O75460 3/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ USP10 Q14694 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ PARP14 Q460N5 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MEN1 O00255 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
SCHEMBL21436487 1.00 VCAM1 (0.43) VCAM1KMT2ASLC10A6KDM4EERN1
SCHEMBL573281 0.87 VCAM1 (0.45) VCAM1KMT2ASLC10A6KDM4EERN1
SCHEMBL573280 0.87 VCAM1 (0.45) VCAM1KMT2ASLC10A6KDM4EERN1
SCHEMBL11000444 0.87 VCAM1 (0.44) VCAM1KMT2AERN1ALDH1A1USP10
SCHEMBL11000446 0.87 VCAM1 (0.44) VCAM1KMT2AERN1ALDH1A1USP10
SCHEMBL11197357 0.84 KDM4E (0.37) KMT2AKDM4EALDH1A1HPGDMAPT
SCHEMBL21436402 0.84 KDM4E (0.37) KMT2AKDM4EALDH1A1HPGDMAPT
SCHEMBL573293 0.81 VCAM1 (0.47) VCAM1KDM4EALDH1A1HPGDNPSR1
SCHEMBL573292 0.81 VCAM1 (0.47) VCAM1KDM4EALDH1A1HPGDNPSR1
SCHEMBL21436403 0.78 KDM4E (0.35) KMT2AKDM4EALDH1A1HPGDNPSR1

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 1603/4885KMT2A 3544/4885SLC10A6 55/4885

“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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