SCHEMBL21436670

SCHEMBL21436670

COC(=O)c1cc([N+](=O)[O-])c(Sc2ncccn2)c(S(=O)(=O)/N=C/N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.40
▸ MAPT P10636 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ APLNR P35414 1/20 0.33
▸ ABL1 P00519 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
SCHEMBL21436671 1.00 VCAM1 (0.40) VCAM1MAPTKDM4EPOLBTDP1
SCHEMBL21437398 0.87 MAPT (0.43) VCAM1MAPTPOLBTDP1LMNA
SCHEMBL11543240 0.87 MAPT (0.43) VCAM1MAPTPOLBTDP1LMNA
SCHEMBL22922822 0.86 LMNA (0.46) VCAM1MAPTKDM4ELMNAGAA
SCHEMBL21436642 0.84 KDM4E (0.38) MAPTKDM4EPOLBLMNAGAA
SCHEMBL21436644 0.84 KDM4E (0.38) MAPTKDM4EPOLBLMNAGAA
SCHEMBL11511421 0.84 ALDH1A1 (0.43) VCAM1MAPTKDM4EPOLBTDP1
SCHEMBL21436693 0.84 ALDH1A1 (0.39) VCAM1MAPTKDM4ELMNAGAA
SCHEMBL21436691 0.84 ALDH1A1 (0.39) VCAM1MAPTKDM4ELMNAGAA
SCHEMBL573292 0.81 VCAM1 (0.47) VCAM1MAPTKDM4EPOLBLMNA

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 1603/4885MAPT 2158/4885KDM4E 3838/4885

“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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