SCHEMBL179749

SCHEMBL179749

CCCCN1C(=O)C(=CC=CC=C2Oc3ccccc3N2CCCS(=O)(=O)[O-])C(=O)N(CCCC)C1=S.[Na+]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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
THRB known ✓ P10828 3/20 0.36
MAPT P10636 8/20 0.50
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 6/20 0.50
HTT P42858 3/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
CYP2C9 P11712 3/20 0.40
KDM4E B2RXH2 2/20 0.40
DUSP3 P51452 1/20 0.40
TDP1 Q9NUW8 4/20 0.36
POLB P06746 4/20 0.36
ALOX12 P18054 2/20 0.36
RECQL P46063 2/20 0.36
NSD2 O96028 1/20 0.36
DNMT1 P26358 1/20 0.36
APEX1 P27695 1/20 0.36
MCL1 Q07820 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
SCHEMBL611112 1.00 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL29431865 1.00 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL29774508 1.00 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL19876733 0.94 MEN1 (0.48) MAPTMEN1KMT2AALDH1A1HTT
Formaldehyde SCHEMBL19717990 0.92 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1HTT
Naphthalene SCHEMBL28162371 0.91 MAPT (0.46) MAPTMEN1KMT2AALDH1A1HTT
Butadiene SCHEMBL28150423 0.90 MEN1 (0.45) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL13245979 0.90 MAPT (0.51) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL30369170 0.90 MAPT (0.51) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL13046323 0.90 MAPT (0.51) MAPTMEN1KMT2AALDH1A1HTT

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

Appears in 2619 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034277-A1 SYSTEMS AND METHODS FOR PATHOGEN INACTIVATION OF BLOOD PRODUCTS CERUS CORP (US) 2026-02-05 US claimed
US-20250345493-A1 ANTIMICROBIAL COMPOSITIONS: METHODS OF MAKING AND USING THE SAME ZONOVA TECHNOLOGIES LTD (GB) 2025-11-13 US claimed
US-20250345285-A1 SONODYNAMIC THERAPY INNOVATION ULSTER LIMITED (GB) 2025-11-13 US claimed
WO-2025233674-A1 ANTIMICROBIAL COMPOSITIONS: METHODS OF MAKING AND USING THE SAME ZONOVA TECHNOLOGIES LTD (GB) 2025-11-13 WO claimed
CN-119438190-A Colorimetric sensor array for volatile organic compound analysis 丰益国际有限公司 2025-02-14 CN claimed
CN-117717614-A Nanometer diagnosis and treatment structure with visible light and near infrared fluorescence emission and application thereof 上海交通大学 2024-03-19 CN claimed
US-20230095572-A1 SONODYNAMIC THERAPY INNOVATION ULSTER LIMITED (GB) 2023-03-30 US claimed
EP-3399986-B1 SYSTEMS AND METHODS FOR PREPARATION OF PLATELETS CERUS CORP (US) 2023-02-22 EP claimed
US-20220347314-A1 MICROBUBBLE-CHEMOTHERAPEUTIC AGENT COMPLEX FOR SONODYNAMIC THERAPY UNIVERSITY OF ULSTER (GB) 2022-11-03 US claimed
US-20220233713-A1 SONODYNAMIC THERAPY CALLAN JOHN (GB) 2022-07-28 US claimed
EP-0436642-A1 PRE-ACTIVATED THERAPEUTIC AGENTS DERIVED FROM PHOTOACTIVE COMPOUNDS. BAYLOR RES FOUND (US) 1991-07-17 EP claimed
US-4915683-A MIXING WITH PHOTOSENSITIZING AGENT, EXPOSURE TO LIGHT TO DEACTIVATE THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 1990-04-10 US claimed
WO-1990003187-A1 PRE-ACTIVATED THERAPEUTIC AGENTS DERIVED FROM PHOTOACTIVE COMPOUNDS BAYLOR RESEARCH FOUNDATION (US) 1990-04-05 WO claimed
US-4889120-A Method for the connection of biological structures GORDON ROBERT T (US) 1989-12-26 US claimed
US-4560665-A Method of measuring membrane fusion FUJIREBIO KABUSHIKI KAISHA (JP) 1985-12-24 US claimed
US-4362645-A Temperature indicating compositions of matter AKZONA, INC. (US) 1982-12-07 US claimed
US-4345470-A All plastic disposable thermometer AKZONA INCORPORATED (US) 1982-08-24 US claimed
US-4299727-A Disposable reversible thermometer AKZONA INCORPORATED (US) 1981-11-10 US claimed
US-4232552-A THERMOCHROMISM, DISPOSABLE THERMOMETERS AKZONA INCORPORATED (US) 1980-11-11 US claimed
US-4215182-A Conversion of solar energy to chemical and electrical energy INSTITUTE OF GAS TECHNOLOGY (US) 1980-07-29 US claimed