SCHEMBL16577904

SCHEMBL16577904

CCCCNc1cc(C(=O)N(CC)CC)cc(N[SH](=O)=O)c1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ LMNA P02545 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ SLC12A2 P55011 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ AQP1 P29972 1/20 0.46
▸ PTGS2 P35354 8/20 0.45
▸ MAPT P10636 2/20 0.42
▸ HDAC3 O15379 1/20 0.40
▸ GAA P10253 1/20 0.37
▸ ACP1 P24666 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
SCHEMBL16577903 0.91 KDM4E (0.51) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL15495571 0.88 KDM4E (0.67) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL16577833 0.87 KDM4E (0.57) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL16577902 0.87 LMNA (0.48) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL16577829 0.86 KDM4E (0.56) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL16577835 0.86 KDM4E (0.56) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL16577832 0.85 ALDH1A1 (0.54) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL15495559 0.84 HPGD (0.54) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL16577836 0.84 ALDH1A1 (0.53) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL16577862 0.84 TSHR (0.53) HPGDALDH1A1LMNAKDM4EUSP2

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 4 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

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 HPGD 1373/4885ALDH1A1 889/4885LMNA 3992/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 HPGD 1760/4885ALDH1A1 1389/4885LMNA 3023/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 HPGD 1748/4885ALDH1A1 845/4885LMNA 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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