SCHEMBL4609079

SCHEMBL4609079

O=[N+]([O-])c1ccc(OP(=O)([O-])Oc2ccc([N+](=O)[O-])cc2)cc1.[Na+]

nearest known ligand 0.67

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
CA1 known ✓ P00915 4/20 0.67
CA2 known ✓ P00918 4/20 0.67
THRB known ✓ P10828 1/20 0.56
CES2 O00748 1/20 0.67
CES1 P23141 1/20 0.67
ACHE P22303 2/20 0.57
BCHE P06276 1/20 0.57
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 4/20 0.56
HSD17B10 Q99714 3/20 0.56
CYP3A4 P08684 2/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.51
HSPB1 P04792 1/20 0.48
GPR84 Q9NQS5 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL11588707 0.96 CA1 (0.67) CA1CA2CES2CES1ACHE
P-Nitrophenylphosphate SCHEMBL168768 0.90 CA1 (0.69) CA1CA2CES2CES1ACHE
SCHEMBL867575 0.89 CA1 (0.64) CA1CA2CES2CES1ACHE
P-Nitrophenylphosphate SCHEMBL844914 0.88 CA1 (0.67) CA1CA2CES2CES1ACHE
P-Nitrophenylphosphate SCHEMBL11103558 0.88 CA1 (0.67) CA1CA2CES2CES1ACHE
P-Nitrophenylphosphate SCHEMBL11104501 0.88 CA1 (0.67) CA1CA2CES2CES1ACHE
P-Nitrophenylphosphate SCHEMBL11322610 0.88 CA1 (0.67) CA1CA2CES2CES1ACHE
P-Nitrophenylphosphate SCHEMBL11322617 0.88 CA1 (0.67) CA1CA2CES2CES1ACHE
P-Nitrophenylphosphate SCHEMBL30776755 0.88 CA1 (0.67) CA1CA2CES2CES1ACHE
SCHEMBL11588710 0.88 CA1 (0.62) CA1CA2CES2CES1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957627-B Preparation method of polyester with low byproduct tetrahydrofuran 万华化学集团股份有限公司 2024-06-25 CN claimed
CN-114957627-A Preparation method of polyester with low byproduct tetrahydrofuran 万华化学集团股份有限公司 2022-08-30 CN claimed
EP-4100394-B1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2026-04-08 EP disclosed
EP-4682193-A1 RESIN COMPOSITION FOR FOAM MOLDING, FOAM MOLDED BODY, METHOD FOR PRODUCING FOAM MOLDED BODY, FOAM ELECTRICAL WIRE, AND METHOD FOR PRODUCING FOAM ELECTRICAL WIRE Daikin Industries, Ltd. (JP) 2026-01-21 EP disclosed
EP-4682192-A1 RESIN COMPOSITION FOR FOAM MOLDING, FOAM MOLDED BODY, AND METHOD FOR PRODUCING FOAM MOLDED BODY DAIKIN INDUSTRIES, LTD. (JP) 2026-01-21 EP disclosed
EP-4667515-A1 RESIN COMPOSITION FOR FOAM MOLDING, INTERLAYER INSULATOR, LAYERED BODY, AND FOAMED ELECTRIC WIRE National University Corporation Yamagata University (JP) 2025-12-24 EP disclosed
US-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LIGACHEM BIOSCIENCES INC. (KR) 2025-08-19 US disclosed
CN-115362145-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) inhibitors and methods of use thereof 斯汀格瑞治疗股份有限公司 2025-05-02 CN disclosed
US-20250099493-A1 PHOSPHONATES AS INHIBITORS OF ENPP1 AND CDNP STINGRAY THERAPEUTICS INC (US) 2025-03-27 US disclosed
US-20250092018-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2025-03-20 US disclosed
CN-119056492-A Filter membrane for removing DNA pollution in water and preparation method and application thereof 中国科学院长春应用化学研究所 2024-12-03 CN disclosed
EP-1327619-A1 Method for hydrolyzing phosphodiester with a catalyst comprising a cyclic phenol sulfide metal complex Cosmo Research Institute (JP) 2003-07-16 EP disclosed
EP-1327618-A1 Method for analyzing hydrogen peroxide with a catalyst comprising a cyclic phenol sulfide metal complex Cosmo Research Institute (JP) 2003-07-16 EP disclosed
US-6472167-B1 MEASURE VIABLE BACTERIA AS A FUNCTION OF THE ACTIVITIES OF BACTERIAL ENZYMES, PHOSPHATASES, GLUCOSIDASES, AND AMINOPEPTIDASES; PRESENCE DETECTED BY A FLUORESCENT SIGNAL BIOCONTROL SYSTEMS, INC. 2002-10-29 US disclosed
US-6387650-B1 INNOCULATING AND INCUBATING TEST SAMPLE ON GROWTH MEDIUM HAVING ENZYME SUBSTRATES FOR PHOSPHATASE, GLYCOSIDASE, AND PEPTIDASE, THEN DETECTING OR MEASURING SIGNAL PRODUCED BY THE HYDROLYSIS OF THE SUBSTRATES BIOCONTROL SYSTEMS, INC. 2002-05-14 US disclosed
EP-1123930-A9 sYCLIC PHENOL SULFIDE-METAL COMPLEXES, CATALYSTS COMPRISING THE SAME AND ANALYTICAL METHODS FOR HYDROGEN PEROXIDE Cosmo Research Institute (JP) 2001-11-14 EP disclosed
EP-1123930-A1 sYCLIC PHENOL SULFIDE-METAL COMPLEXES, CATALYSTS COMPRISING THE SAME AND ANALYTICAL METHODS FOR HYDROGEN PEROXIDE Cosmo Research Institute (JP) 2001-08-16 EP disclosed
WO-2001010870-A1 TRANSITION METAL COMPLEXES OF N,N',N'-TRIALKYL- CIS,CIS-1,3,5-TRIAMINOCYCLOHEXANE AND RELATED COMPOSITIONS AND METHODS OF SYNTHESIS AND USE THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-02-15 WO disclosed
EP-0870054-A1 METHOD AND COMPOSITION FOR DETECTING BACTERIAL CONTAMINATION IN FOOD PRODUCTS IDEXX LABORATORIES, INC. (US) 1998-10-14 EP disclosed
WO-1996040980-A1 METHOD AND COMPOSITION FOR DETECTING BACTERIAL CONTAMINATION IN FOOD PRODUCTS IDEXX LABORATORIES, INC. (US) 1996-12-19 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 (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-12391690-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 CA1 2336/4885CA2 1914/4885THRB 3927/4885
US-20250099493-A1 PHOSPHONATES AS INHIBITORS OF ENPP1 AND CDNP ENPP1, ENPP3, PPP1R1B CA1 4529/4885CA2 3926/4885THRB 954/4885
US-20250092018-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF ENPP1, ENPP3, PDE7A CA1 3460/4885CA2 2244/4885THRB 3119/4885

“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.