SCHEMBL16577876

SCHEMBL16577876

Cc1c(N[SH](=O)=O)cc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 11/20 0.49
▸ TSHR P16473 2/20 0.49
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ CASP6 P55212 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TPMT P51580 1/20 0.44

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
SCHEMBL16577851 0.82 HCAR3 (0.46) HCAR3TSHRKMT2AMEN1CASP6
SCHEMBL16577866 0.82 HCAR3 (0.46) HCAR3TSHRKMT2AMEN1CASP6
SCHEMBL16577869 0.82 LMNA (0.53) HCAR3TSHRKMT2AMEN1CASP6
SCHEMBL503451 0.81 TSHR (0.65) HCAR3TSHRKMT2AMEN1POLB
SCHEMBL18993152 0.78 HCAR3 (0.48) HCAR3TSHRKMT2AMEN1CASP6
SCHEMBL16577853 0.76 HCAR3 (0.59) HCAR3KMT2AMEN1MAPT
SCHEMBL3582465 0.76 TSHR (0.64) HCAR3TSHRKMT2AMEN1POLB
SCHEMBL16577875 0.75 GPR35 (0.45) KMT2AMEN1GAAMAPTTPMT
SCHEMBL16577856 0.75 MAPT (0.47) HCAR3KMT2AMEN1CASP6GAA
SCHEMBL19294671 0.75 HCAR3 (0.45) HCAR3KMT2AMEN1CASP6MAPT

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 HCAR3 280/4885TSHR 627/4885KMT2A 3471/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 HCAR3 751/4885TSHR 356/4885KMT2A 3328/4885
US-20150080350-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 HCAR3 465/4885TSHR 690/4885KMT2A 3765/4885

“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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