SCHEMBL21436385

SCHEMBL21436385

CCCCNc1cc(C(=O)OC)cc(S(=O)(=O)/N=C/N(C)C)c1Sc1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SLC12A2 P55011 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ AQP1 P29972 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGS2 P35354 7/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL21436389 1.00 KDM4E (0.35) KDM4EALDH1A1USP2CA2LMNA
SCHEMBL21436660 0.88 CA2 (0.41) KDM4EALDH1A1USP2CA2LMNA
SCHEMBL21436661 0.88 CA2 (0.41) KDM4EALDH1A1USP2CA2LMNA
SCHEMBL21439805 0.87 SMN1; SMN2 (0.36) KDM4EALDH1A1USP2CA2LMNA
SCHEMBL21439806 0.87 SMN1; SMN2 (0.36) KDM4EALDH1A1USP2CA2LMNA
SCHEMBL21436421 0.85 ALDH1A1 (0.38) KDM4EALDH1A1USP2CA2LMNA
SCHEMBL21436423 0.85 ALDH1A1 (0.38) KDM4EALDH1A1USP2CA2LMNA
SCHEMBL21436642 0.81 KDM4E (0.38) KDM4EALDH1A1USP2LMNAHPGD
SCHEMBL21436644 0.81 KDM4E (0.38) KDM4EALDH1A1USP2LMNAHPGD
SCHEMBL574028 0.81 MAPT (0.40) KDM4EALDH1A1USP2CA2LMNA

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 KDM4E 3838/4885ALDH1A1 692/4885USP2 3125/4885

“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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