SCHEMBL2741957

SCHEMBL2741957

CCCCN(CCCC)c1cc(C(=O)O)cc(NCc2ccccc2)c1Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ SLC12A2 P55011 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ HDAC8 Q9BY41 4/20 0.42
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ PLK1 P53350 1/20 0.39
▸ AQP1 P29972 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL18993679 0.91 ALDH1A1 (0.46) LMNACA2ALDH1A1HPGDHSD17B10
SCHEMBL2741959 0.90 ALDH1A1 (0.54) LMNACA2ALDH1A1HPGDHSD17B10
SCHEMBL18993689 0.90 LMNA (0.46) LMNACA2ALDH1A1HPGDHSD17B10
SCHEMBL18993691 0.90 LMNA (0.46) LMNACA2ALDH1A1HPGDHSD17B10
SCHEMBL18993748 0.90 ALDH1A1 (0.46) LMNACA2ALDH1A1HPGDHSD17B10
SCHEMBL2741953 0.87 LMNA (0.50) LMNACA2ALDH1A1HPGDHSD17B10
SCHEMBL2741952 0.86 LMNA (0.49) LMNACA2ALDH1A1HPGDHSD17B10
SCHEMBL2877269 0.86 LMNA (0.49) LMNACA2ALDH1A1HPGDHSD17B10
SCHEMBL2741958 0.86 LMNA (0.46) LMNACA2ALDH1A1HPGDHSD17B10
SCHEMBL2741873 0.84 CA2 (0.68) LMNACA2ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS INC. 2015-03-19 — — US disclosed
WO-2012018635-A2 ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-02-09 — — WO 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-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 (4 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 LMNA 3992/4885CA2 471/4885ALDH1A1 889/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 LMNA 4297/4885CA2 388/4885ALDH1A1 625/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 LMNA 3023/4885CA2 1572/4885ALDH1A1 1389/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 LMNA 3842/4885CA2 1422/4885ALDH1A1 845/4885

“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.

Send feedback