SCHEMBL22922708

SCHEMBL22922708

CN(C)/C=N/S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ VCAM1 P19320 10/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ F2 P00734 2/20 0.32
▸ PRSS1 P07477 2/20 0.32
▸ PRSS2 P07478 2/20 0.32
▸ PRSS3 P35030 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR6 P50406 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
SCHEMBL21436663 1.00 LMNA (0.40) LMNAGAAVCAM1ALDH1A1MAPT
SCHEMBL21436665 1.00 LMNA (0.40) LMNAGAAVCAM1ALDH1A1MAPT
SCHEMBL21436471 0.78 LMNA (0.38) LMNAGAAVCAM1ALDH1A1MAPT
SCHEMBL21436474 0.78 LMNA (0.38) LMNAGAAVCAM1ALDH1A1MAPT
SCHEMBL1938624 0.73 VCAM1 (0.42) VCAM1ALDH1A1TDP1
SCHEMBL1938669 0.72 VCAM1 (0.46) LMNAVCAM1ALDH1A1MAPTMEN1
SCHEMBL11542928 0.72 HCAR3 (0.42) LMNAGAAALDH1A1MAPTMEN1
SCHEMBL1185703 0.71 VCAM1 (0.49) VCAM1ALDH1A1TDP1F2PRSS1
Silver SCHEMBL2515251 0.71 GPR35 (0.38) VCAM1ALDH1A1MAPTTDP1F2
SCHEMBL7769090 0.71 TSHR (0.41) VCAM1ALDH1A1TDP1

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 LMNA 4608/4885GAA 649/4885VCAM1 1603/4885

“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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