SCHEMBL21436644

SCHEMBL21436644

COC(=O)c1cc(N)c(Sc2ncccn2)c(S(=O)(=O)N=CN(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ HPGD P15428 6/20 0.38
▸ GAA P10253 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPT P10636 5/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.31
▸ ALOX15 P16050 3/20 0.31
▸ L3MBTL1 Q9Y468 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ USP2 O75604 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
SCHEMBL21436642 1.00 KDM4E (0.38) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL11512332 0.86 KDM4E (0.42) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL22922726 0.86 KDM4E (0.42) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL21436412 0.85 SMN1; SMN2 (0.39) LMNAHTT
SCHEMBL21436414 0.85 SMN1; SMN2 (0.39) LMNAHTT
SCHEMBL21436670 0.84 VCAM1 (0.40) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL21436671 0.84 VCAM1 (0.40) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL11512796 0.83 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL22922716 0.82 ALDH1A1 (0.41) KDM4EALDH1A1HPGDGAAPKM
SCHEMBL21436385 0.81 KDM4E (0.35) KDM4EALDH1A1HPGDMAPTHSD17B10

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 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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