Benzthiazide

Benzthiazide

SCHEMBL345215

NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O.[Fe]

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC12A3

The experimentally established mechanism targets of Benzthiazide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
CYP3A4 P08684 3/20 0.62
CYP2C9 P11712 3/20 0.62
TSHR P16473 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 2/20 0.62
MEN1 O00255 1/20 0.62
NR1I2 O75469 1/20 0.62
ABCB11 O95342 1/20 0.62
ADRA2A P08913 1/20 0.62
CYP2D6 P10635 1/20 0.62
PKM P14618 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
KMT2A Q03164 1/20 0.62
CYP1A2 P05177 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 12/20 0.41
CA2 P00918 11/20 0.41
CA12 O43570 10/20 0.41

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
Benzthiazide SCHEMBL26257 0.99 ALDH1A1 (0.63) ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2
Benzthiazide SCHEMBL7217920 0.98 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2
Benzthiazide SCHEMBL7102453 0.98 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2
Benzthiazide SCHEMBL6546528 0.98 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2
Benzthiazide SCHEMBL9517821 0.98 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2
Benzthiazide SCHEMBL1276519 0.96 ALDH1A1 (0.60) ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2
Benzthiazide SCHEMBL23860715 0.94 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2
Benzthiazide SCHEMBL386952 0.94 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2
Benzthiazide SCHEMBL386685 0.94 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2
Benzthiazide SCHEMBL2376967 0.94 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306304-B2 Mutations in iron-sulfur cluster proteins that improve xylose utilization LALLEMAND HUNGARY LIQUIDITY MANAGEMENT LLC (HU) 2022-04-19 US disclosed
US-20200115697-A1 MUTATIONS IN IRON-SULFUR CLUSTER PROTEINS THAT IMPROVE XYLOSE UTILIZATION DANSTAR FERMENT AG (CH) 2020-04-16 US disclosed
US-10465181-B2 Mutations in iron-sulfur cluster proteins that improve xylose utilization LALLEMAND HUNGARY LIQUIDITY MANAGEMENT LLC (HU) 2019-11-05 US disclosed
US-10308964-B2 Activity of Fe—S cluster requiring proteins BUTAMAX ADVANCED BIOFUELS LLC (US) 2019-06-04 US disclosed
US-20180251750-A1 MUTATIONS IN IRON-SULFUR CLUSTER PROTEINS THAT IMPROVE XYLOSE UTILIZATION DANSTAR FERMENT AG (CH) 2018-09-06 US disclosed
EP-2536821-B1 IMPROVING ACTIVITY OF FE-S CLUSTER REQUIRING PROTEINS BUTAMAX TM ADVANCED BIOFUELS (US) 2018-06-13 EP disclosed
US-9920312-B2 Mutations in iron-sulfur cluster proteins that improve xylose utilization LALLEMAND HUNGARY LIQUIDITY MANAGEMENT LLC (HU) 2018-03-20 US disclosed
EP-3180419-A1 MUTATIONS IN IRON-SULFUR CLUSTER PROTEINS THAT IMPROVE XYLOSE UTILIZATION Lallemand Hungary Liquidity Management LLC (HU) 2017-06-21 EP disclosed
US-20170101653-A1 Activity of Fe-S Cluster Requiring Proteins GEVO, INC. 2017-04-13 US disclosed
US-9611482-B2 Activity of Fe-S cluster requiring proteins BUTAMAX ADVANCED BIOFUELS LLC (US) 2017-04-04 US disclosed
EP-0830456-B1 ISOLATED FrpB NUCLEIC ACID MOLECULE AND VACCINE UNIV NORTH CAROLINA (US) 2006-06-21 EP disclosed
US-20050271681-A1 Isolated FrpB nucleic acid molecule and vaccine SPARLING P F 2005-12-08 US disclosed
WO-2005091733-A2 TRAITS IN RECOMBINANT XYLOSE-GROWING SACCHAROMYCES CEREVISIAE STRAINS USING GENOME-WIDE TRANSCRIPTION ANALYSIS FORSKARPATENT I SYD AB (SE) 2005-10-06 WO disclosed
US-20050209305-A1 Methods for the production of biliverdin PENDRAK MICHAEL L 2005-09-22 US disclosed
US-20030096368-A1 Isolated FrpB nucleic acid molecule and vaccine THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2003-05-22 US disclosed
US-6265567-B1 NUCLEOTIDE SEQUENCES CODING EXTERIOR MEMBRANE POLYPEPTIDES; FOR THE DEVELOPMENT OF VACCINES WHICH PREVENT INFECTION BY PREFERENTIAL MICROORGANISMS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-07-24 US disclosed
EP-0830456-A4 ISOLATED FrpB NUCLEIC ACID MOLECULE AND VACCINE UNIV NORTH CAROLINA (US) 2001-03-14 EP disclosed
EP-0830456-A1 ISOLATED FrpB NUCLEIC ACID MOLECULE AND VACCINE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL ; Office of Research Services (US) 1998-03-25 EP disclosed
WO-1996031618-A9 ISOLATED FrpB NUCLEIC ACID MOLECULE AND VACCINE 1996-12-05 WO disclosed
WO-1996031618-A1 ISOLATED FrpB NUCLEIC ACID MOLECULE AND VACCINE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-10-10 WO disclosed