SCHEMBL21436675

SCHEMBL21436675

CCCCNc1cc(CNCc2cccs2)cc(S(N)(=O)=O)c1Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.59
▸ USP2 O75604 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ SLC12A2 P55011 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ AQP1 P29972 1/20 0.53
▸ PTGS2 P35354 16/20 0.53
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL11371169 0.89 CA2 (0.68) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL22922713 0.85 NPSR1 (0.43) KDM4EUSP2ALDH1A1CA2LMNA
Hydrochloric Acid SCHEMBL21436703 0.84 NPSR1 (0.42) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL11377765 0.84 CA2 (0.69) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL21436432 0.83 CA2 (0.63) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL11385637 0.83 CA2 (0.68) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL11377934 0.83 CA2 (0.63) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL22922706 0.83 CA2 (0.62) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL21436692 0.83 CA2 (0.62) KDM4EUSP2ALDH1A1CA2LMNA
SCHEMBL11370315 0.82 ALDH1A1 (0.59) KDM4EUSP2ALDH1A1CA2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3838/4885USP2 3125/4885ALDH1A1 692/4885

“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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