SCHEMBL21436705

SCHEMBL21436705

COC(=O)c1cc(N)c(Oc2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.44
▸ HPGD P15428 7/20 0.44
▸ MAPT P10636 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HSD17B10 Q99714 5/20 0.42
▸ CFTR P13569 1/20 0.42
▸ USP10 Q14694 1/20 0.42
▸ KDM4E B2RXH2 7/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ P2RY14 Q15391 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ AKT1 P31749 1/20 0.40

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
SCHEMBL21453441 0.82 MAOB (0.34) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL21436430 0.79 USP10 (0.65) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL22922701 0.74 HPGD (0.49) ALDH1A1HPGDHSD17B10USP10KDM4E
SCHEMBL21453464 0.73 ALDH1A1 (0.42) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL6924693 0.71 KDM4E (0.46) ALDH1A1HPGDMAPTGAAHSD17B10
SCHEMBL11545452 0.71 USP2 (0.54) ALDH1A1HPGDMAPTGAAHSD17B10
SCHEMBL1417353 0.71 CSNK2A2 (0.45) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL3239031 0.71 KDM4E (0.54) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL14234477 0.70 ALDH1A1 (0.56) ALDH1A1HPGDMAPTGAAMEN1
SCHEMBL2723179 0.70 ALDH1A1 (0.57) ALDH1A1HPGDMAPTGAAMEN1

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 ALDH1A1 692/4885HPGD 524/4885MAPT 2158/4885

“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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