SCHEMBL22922713

SCHEMBL22922713

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SLC12A2 P55011 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ AQP1 P29972 1/20 0.40
▸ PTGS2 P35354 14/20 0.39
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
Hydrochloric Acid SCHEMBL21436703 0.99 NPSR1 (0.42) NPSR1KDM4EUSP2ALDH1A1CA2
Hydrochloric Acid SCHEMBL21436702 0.86 KDM4E (0.44) NPSR1KDM4EUSP2ALDH1A1CA2
SCHEMBL21436675 0.85 KDM4E (0.59) NPSR1KDM4EUSP2ALDH1A1CA2
SCHEMBL21436750 0.83 KDM4E (0.52) NPSR1KDM4EUSP2ALDH1A1CA2
SCHEMBL21436751 0.83 KDM4E (0.52) NPSR1KDM4EUSP2ALDH1A1CA2
SCHEMBL21454165 0.83 KDM4E (0.52) NPSR1KDM4EUSP2ALDH1A1CA2
SCHEMBL572925 0.77 KDM4E (0.59) NPSR1KDM4EUSP2ALDH1A1CA2
SCHEMBL10222976 0.77 KDM4E (0.59) NPSR1KDM4EUSP2ALDH1A1CA2
SCHEMBL572924 0.77 KDM4E (0.59) NPSR1KDM4EUSP2ALDH1A1CA2
SCHEMBL11371169 0.74 CA2 (0.68) NPSR1KDM4EUSP2ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPSR1 294/4885KDM4E 3838/4885USP2 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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