SCHEMBL22922822

SCHEMBL22922822

COC(=O)c1cc([N+](=O)[O-])c(Sc2nccn2C)c(S(=O)(=O)/N=C/N(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAPT P10636 6/20 0.39
▸ HTT P42858 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ VCAM1 P19320 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL21436414 0.86 SMN1; SMN2 (0.39) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL21436412 0.86 SMN1; SMN2 (0.39) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL21436670 0.86 VCAM1 (0.40) LMNAALDH1A1KMT2AMAPTHTT
SCHEMBL21436671 0.86 VCAM1 (0.40) LMNAALDH1A1KMT2AMAPTHTT
SCHEMBL11543240 0.81 MAPT (0.43) LMNAALDH1A1KMT2AMAPTHTT
SCHEMBL21437398 0.81 MAPT (0.43) LMNAALDH1A1KMT2AMAPTHTT
SCHEMBL21439805 0.80 SMN1; SMN2 (0.36) LMNAALDH1A1KMT2AMAPTHTT
SCHEMBL21439806 0.80 SMN1; SMN2 (0.36) LMNAALDH1A1KMT2AMAPTHTT
SCHEMBL11511421 0.80 ALDH1A1 (0.43) LMNAALDH1A1KMT2ACYP2C9MAPT
SCHEMBL21436691 0.79 ALDH1A1 (0.39) LMNAALDH1A1KMT2ACYP3A4CYP2D6

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 4608/4885ALDH1A1 692/4885KMT2A 3544/4885

“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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