SCHEMBL22922726

SCHEMBL22922726

COC(=O)c1cc(N)c(Sc2ccccc2)c(S(=O)(=O)/N=C/N(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 6/20 0.42
▸ GAA P10253 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAPT P10636 5/20 0.38
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ EIF4H Q15056 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TUBB4A P04350 2/20 0.35
▸ TUBB P07437 2/20 0.35
▸ TUBA3C P0DPH7 2/20 0.35
▸ TUBA1B P68363 2/20 0.35
▸ TUBA4A P68366 2/20 0.35
▸ TUBB4B P68371 2/20 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
SCHEMBL11512332 1.00 KDM4E (0.42) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL11512796 0.91 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL21436644 0.86 KDM4E (0.38) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL21436642 0.86 KDM4E (0.38) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL21437398 0.84 MAPT (0.43) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL11543240 0.84 MAPT (0.43) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL21436509 0.83 CA1 (0.39) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL21436508 0.83 CA1 (0.39) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL11542990 0.83 ERAP1 (0.37) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL574218 0.82 HPGD (0.45) KDM4EALDH1A1HPGDGAAPKM

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 2 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
US-20210022978-A1 BUMETANIDE DERIVATIVES FOR THE THERAPY OF HYPERHIDROSIS Zilentin AG (CH) 2021-01-28 — — US 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 KDM4E 3838/4885ALDH1A1 692/4885HPGD 524/4885

“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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