SCHEMBL232076

SCHEMBL232076

NC(=S)c1cc(N2CCCC2)c(Oc2ccccc2)c(S(N)(=O)=O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.79
KDM4E B2RXH2 2/20 0.79
USP2 O75604 2/20 0.79
ALDH1A1 P00352 2/20 0.79
HPGD P15428 2/20 0.79
HIF1A Q16665 2/20 0.79
HSD17B10 Q99714 2/20 0.79
SLC6A4 P31645 1/20 0.79
CA2 P00918 2/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
SLC12A2 P55011 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGS2 P35354 3/20 0.37
MMP2 P08253 1/20 0.37
KYAT1 Q16773 1/20 0.37
KYAT3 Q6YP21 1/20 0.37
AADAT Q8N5Z0 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 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
SCHEMBL229366 0.92 ALDH1A1 (0.81) LMNAKDM4EUSP2ALDH1A1HPGD
SCHEMBL2880954 0.90 LMNA (0.78) LMNAKDM4EUSP2ALDH1A1HPGD
SCHEMBL230212 0.90 ALDH1A1 (0.78) LMNAKDM4EUSP2ALDH1A1HPGD
SCHEMBL18993642 0.90 ALDH1A1 (0.78) LMNAKDM4EUSP2ALDH1A1HPGD
SCHEMBL231996 0.90 ALDH1A1 (0.85) LMNAKDM4EUSP2ALDH1A1HPGD
SCHEMBL29436052 0.89 ALDH1A1 (0.76) LMNAKDM4EUSP2ALDH1A1HPGD
SCHEMBL29436059 0.89 ALDH1A1 (0.76) LMNAKDM4EUSP2ALDH1A1HPGD
Piretanide SCHEMBL30230376 0.88 KDM4E (1.00) LMNAKDM4EUSP2ALDH1A1HPGD
Piretanide SCHEMBL49473 0.88 KDM4E (1.00) LMNAKDM4EUSP2ALDH1A1HPGD
Piretanide SCHEMBL1741994 0.88 KDM4E (1.00) LMNAKDM4EUSP2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2024-01-11 US disclosed
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2019-05-23 US disclosed
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-20120234721-A1 DIURETIC AND DIURETIC-LIKE COMPOUND ANALOGS NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-09-20 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
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NEUROTHERAPEUTICS PHARMA, INC. 2009-08-27 US disclosed
EP-1951702-A2 DIURETIC-LIKE COMPOUND ANALOGS USEFUL FOR REGULATION OF CENTRAL NERVOUS SYSTEM DISORDERS NeuroTherapeutics Pharma, Inc. (US) 2008-08-06 EP disclosed
EP-1937242-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NeuroTherapeutics Pharma, Inc. (US) 2008-07-02 EP disclosed
US-20070149526-A1 Diuretic and diuretic-like compound analogs NEUROTHERAPEUTICS PHARMA, L.L.C. 2007-06-28 US disclosed
WO-2007047447-A2 DIURETIC-LIKE COMPOUND ANALOGS USEFUL FOR REGULATION OF CENTRAL NERVOUS SYSTEM DISORDERS NEUROTHERAPEUTICS PHARMA, INC. (US) 2007-04-26 WO disclosed
WO-2007047698-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NEUROTHERAPEUTICS PHARMA, INC. (US) 2007-04-26 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 (8 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-20120234721-A1 DIURETIC AND DIURETIC-LIKE COMPOUND ANALOGS AQP4, AVPR2, AQP1 LMNA 3676/4885KDM4E 3557/4885USP2 3459/4885
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 LMNA 4006/4885KDM4E 2426/4885USP2 3587/4885
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 LMNA 3992/4885KDM4E 2228/4885USP2 3353/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 LMNA 4297/4885KDM4E 2764/4885USP2 3646/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 LMNA 3023/4885KDM4E 3528/4885USP2 4684/4885
US-20070149526-A1 Diuretic and diuretic-like compound analogs AQP4, AVPR2, AQP1 LMNA 3676/4885KDM4E 3557/4885USP2 3459/4885
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS SLC6A2, SLC1A2, SLC18A2 LMNA 4437/4885KDM4E 1504/4885USP2 3752/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 LMNA 3842/4885KDM4E 3717/4885USP2 4533/4885

“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.