SCHEMBL21436474

SCHEMBL21436474

CN(C)C=NS(=O)(=O)c1cc([N+](=O)[O-])c(Oc2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTR6 P50406 4/20 0.36
▸ HTR2C P28335 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GLA P06280 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP19A1 P11511 2/20 0.35
▸ MLNR O43193 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MPO P05164 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TBXA2R P21731 1/20 0.35

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
SCHEMBL21436471 1.00 LMNA (0.38) LMNAGAAHTR6HTR2CMEN1
SCHEMBL21436582 0.83 LMNA (0.37) LMNAGAAHPGDSMN1; SMN2HTT
SCHEMBL21436580 0.83 LMNA (0.37) LMNAGAAHPGDSMN1; SMN2HTT
SCHEMBL22922703 0.83 LMNA (0.37) LMNAGAAHPGDSMN1; SMN2HTT
SCHEMBL22922708 0.78 LMNA (0.40) LMNAGAAHTR6MEN1KMT2A
SCHEMBL21436663 0.78 LMNA (0.40) LMNAGAAHTR6MEN1KMT2A
SCHEMBL21436665 0.78 LMNA (0.40) LMNAGAAHTR6MEN1KMT2A
SCHEMBL22922704 0.76 HPGD (0.41) LMNAHPGDKDM4ETSHRPTGS2
SCHEMBL21436494 0.76 HPGD (0.41) LMNAHPGDKDM4ETSHRPTGS2
SCHEMBL21436493 0.76 HPGD (0.41) LMNAHPGDKDM4ETSHRPTGS2

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 3 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
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 LMNA 4608/4885GAA 649/4885HTR6 788/4885

“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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