SCHEMBL21436495

SCHEMBL21436495

CCCCNc1c([N+](=O)[O-])cc(C(=O)OC)cc1S(=O)(=O)/N=C/N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HCAR3 P49019 3/20 0.41
▸ VCAM1 P19320 1/20 0.40
▸ ESR1 P03372 1/20 0.37
▸ PKM P14618 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ USP10 Q14694 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PTGER4 P35408 1/20 0.34

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
SCHEMBL21436496 1.00 MAPT (0.50) MAPTGAAALDH1A1TDP1L3MBTL1
SCHEMBL21439821 0.86 VCAM1 (0.41) MAPTGAAALDH1A1VCAM1PKM
SCHEMBL21439820 0.86 VCAM1 (0.41) MAPTGAAALDH1A1VCAM1PKM
SCHEMBL21436415 0.86 VCAM1 (0.41) MAPTALDH1A1HCAR3VCAM1PKM
SCHEMBL21436413 0.86 VCAM1 (0.41) MAPTALDH1A1HCAR3VCAM1PKM
SCHEMBL573293 0.81 VCAM1 (0.47) MAPTALDH1A1VCAM1PKMPOLB
SCHEMBL573292 0.81 VCAM1 (0.47) MAPTALDH1A1VCAM1PKMPOLB
SCHEMBL574027 0.81 MAPT (0.40) MAPTGAAALDH1A1TDP1L3MBTL1
SCHEMBL574028 0.81 MAPT (0.40) MAPTGAAALDH1A1TDP1L3MBTL1
SCHEMBL21436515 0.80 VCAM1 (0.41) MAPTGAAALDH1A1VCAM1PKM

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 MAPT 2158/4885GAA 649/4885ALDH1A1 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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