SCHEMBL10281398

SCHEMBL10281398

COC(=O)c1cc(N2CCCC2)c(Sc2ccccc2)c(S(N)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ERAP1 Q9NZ08 3/20 0.42
▸ ERAP2 Q6P179 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA5A P35218 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ MAPT P10636 3/20 0.39

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
SCHEMBL10281400 0.88 KDM4E (0.61) ALDH1A1KDM4ELMNAHPGDUSP2
SCHEMBL11543455 0.87 KDM4E (0.60) ALDH1A1KDM4ELMNAHPGDUSP2
SCHEMBL2880855 0.84 CA1 (0.39) ALDH1A1KDM4ELMNAHPGDUSP2
SCHEMBL11542990 0.83 ERAP1 (0.37) ALDH1A1KDM4ELMNAHPGDUSP2
SCHEMBL11549637 0.81 KDM4E (0.50) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL11542663 0.81 KDM4E (0.53) ALDH1A1KDM4ELMNAHPGDUSP2
SCHEMBL13284094 0.80 ACLY (0.36) ALDH1A1KDM4ELMNAHPGDUSP2
SCHEMBL230185 0.80 ALDH1A1 (0.80) ALDH1A1KDM4ELMNAHPGDUSP2
SCHEMBL16577892 0.79 KDM4E (0.42) ALDH1A1KDM4ELMNAHPGDNPC1
SCHEMBL11547152 0.78 KDM4E (0.53) ALDH1A1KDM4ELMNAHPGDUSP2

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
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2017-08-31 — — US disclosed
US-9682928-B2 Bumetanide analogs, compositions and methods of use NEUROPRO THERAPEUTICS, INC. (US) 2017-06-20 — — US disclosed
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS INC. 2015-03-19 — — US disclosed
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-01-05 — — US disclosed
WO-2010085352-A2 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2010-07-29 — — 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 (3 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-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 ALDH1A1 889/4885KDM4E 2228/4885LMNA 3992/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 ALDH1A1 1389/4885KDM4E 3528/4885LMNA 3023/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 ALDH1A1 845/4885KDM4E 3717/4885LMNA 3842/4885

“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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