SCHEMBL21436413

SCHEMBL21436413

C=CCNc1c([N+](=O)[O-])cc(C(=O)OC)cc1S(=O)(=O)/N=C/N(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.41
▸ HCAR3 P49019 1/20 0.40
▸ ABL1 P00519 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP10 Q14694 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ POLB P06746 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
SCHEMBL21436415 1.00 VCAM1 (0.41) VCAM1HCAR3ABL1MEN1KMT2A
SCHEMBL21439821 0.86 VCAM1 (0.41) VCAM1ABL1MEN1KMT2AMAPT
SCHEMBL21439820 0.86 VCAM1 (0.41) VCAM1ABL1MEN1KMT2AMAPT
SCHEMBL21436496 0.86 MAPT (0.50) VCAM1HCAR3ABL1MEN1KMT2A
SCHEMBL21436495 0.86 MAPT (0.50) VCAM1HCAR3ABL1MEN1KMT2A
SCHEMBL573293 0.81 VCAM1 (0.47) VCAM1MAPTKDM4EALDH1A1HTT
SCHEMBL573292 0.81 VCAM1 (0.47) VCAM1MAPTKDM4EALDH1A1HTT
SCHEMBL21436994 0.81 VCAM1 (0.41) VCAM1ABL1KMT2AMAPTKDM4E
SCHEMBL21436995 0.81 VCAM1 (0.41) VCAM1ABL1KMT2AMAPTKDM4E
SCHEMBL21436510 0.81 VCAM1 (0.41) VCAM1ABL1KMT2AMAPTKDM4E

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 1603/4885HCAR3 158/4885ABL1 3142/4885

“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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