SCHEMBL21436693

SCHEMBL21436693

COC(=O)c1cc([N+](=O)[O-])c(SC2=NCCS2)c(S(=O)(=O)N=CN(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ VCAM1 P19320 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPT P10636 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ USP10 Q14694 1/20 0.31
▸ ERN1 O75460 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL21436691 1.00 ALDH1A1 (0.39) ALDH1A1VCAM1SMN1; SMN2NPC1RAB9A
SCHEMBL22922716 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL21436670 0.84 VCAM1 (0.40) ALDH1A1VCAM1SMN1; SMN2NPC1RAB9A
SCHEMBL21436671 0.84 VCAM1 (0.40) ALDH1A1VCAM1SMN1; SMN2NPC1RAB9A
SCHEMBL11543240 0.82 MAPT (0.43) ALDH1A1VCAM1SMN1; SMN2MAPTABL1
SCHEMBL21437398 0.82 MAPT (0.43) ALDH1A1VCAM1SMN1; SMN2MAPTABL1
SCHEMBL11511421 0.81 ALDH1A1 (0.43) ALDH1A1VCAM1SMN1; SMN2MAPTKDM4E
SCHEMBL22922822 0.79 LMNA (0.46) ALDH1A1VCAM1SMN1; SMN2NPC1RAB9A
SCHEMBL573292 0.78 VCAM1 (0.47) ALDH1A1VCAM1SMN1; SMN2MAPTKDM4E
SCHEMBL573293 0.78 VCAM1 (0.47) ALDH1A1VCAM1SMN1; SMN2MAPTKDM4E

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 4 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
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 ALDH1A1 692/4885VCAM1 1603/4885SMN1; SMN2 4244/4885

“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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