SCHEMBL454118

SCHEMBL454118

CN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(N(C)CCO)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1.[Na].[Na]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.55
CA2 P00918 7/20 0.55
CA9 Q16790 7/20 0.55
CA12 O43570 5/20 0.55
ENPP2 Q13822 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SNCA P37840 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RECQL P46063 1/20 0.37
MCL1 Q07820 1/20 0.37
KCNH3 Q9ULD8 1/20 0.37
RAD51 Q06609 1/20 0.36
NSD2 O96028 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
PTPN11 Q06124 1/20 0.36
PDE5A O76074 1/20 0.36
NPY5R Q15761 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
SCHEMBL31004082 1.00 CA1 (0.55) CA1CA2CA9CA12ENPP2
SCHEMBL30449330 0.99 CA1 (0.53) CA1CA2CA9CA12ENPP2
SCHEMBL789843 0.99 CA1 (0.53) CA1CA2CA9CA12ENPP2
SCHEMBL789844 0.99 CA1 (0.53) CA1CA2CA9CA12ENPP2
SCHEMBL893424 0.98 CA1 (0.53) CA1CA2CA9CA12ENPP2
Potassium SCHEMBL2220697 0.98 CA1 (0.53) CA1CA2CA9CA12ENPP2
SCHEMBL7909456 0.98 CA1 (0.53) CA1CA2CA9CA12ENPP2
SCHEMBL11028760 0.98 CA1 (0.53) CA1CA2CA9CA12ENPP2
SCHEMBL16264742 0.95 CA1 (0.50) CA1CA2CA9CA12ENPP2
SCHEMBL14391279 0.94 CA1 (0.59) CA1CA2CA9CA12ALDH1A1

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 1123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753567-A1 Softening through the wash compositions THE PROCTER & GAMBLE COMPANY (US) 1997-01-15 EP claimed
US-5466802-A Surfactant, builder, polymer dye transfer inhibitors and optical brighteners THE PROCTER & GAMBLE COMPANY (US) 1995-11-14 US claimed
US-20240216248-A1 MICROBIAL GLYCOLIPIDS ANALYTICON DISCOVERY GMBH (DE) 2024-07-04 US disclosed
WO-2024088520-A1 LIQUID DETERGENTS AND CLEANING COMPOSITIONS WITH IMPROVED HYDROTROPE POWER SYMRISE AG (DE) 2024-05-02 WO disclosed
WO-2024088522-A1 DETERGENTS WITH IMPROVED DYE TRANSFER INHIBITION SYMRISE AG (DE) 2024-05-02 WO disclosed
WO-2024088521-A1 DETERGENTS AND CLEANING COMPOSITIONS WITH IMPROVED ANTI-REDEPOSITION PROPERTIES SYMRISE AG (DE) 2024-05-02 WO disclosed
US-20240124808-A1 POLYUREA MICROCAPSULES AND LIQUID SURFACTANT SYSTEMS CONTAINING THEM SYMRISE AG (DE) 2024-04-18 US disclosed
WO-2024078679-A1 A FRAGRANCE MIXTURE (VI) SYMRISE AG (DE) 2024-04-18 WO disclosed
EP-3664772-B1 1,2-ALKANEDIOLS AND A PROCESS FOR THEIR PRODUCTION SYMRISE AG (DE) 2024-03-20 EP disclosed
WO-2024051922-A1 A FRAGRANCE MIXTURE (III) SYMRISE AG (DE) 2024-03-14 WO disclosed
EP-4331564-A1 ANTIOXIDANT COMPOSITION COMPRISING 5-DEOXYFLAVONOIDS Analyticon Discovery GmbH (DE) 2024-03-06 EP disclosed
WO-1995027774-A1 BLEACH COMPOSITIONS COMPRISING METAL-CONTAINING BLEACH CATALYSTS AND ANTIOXIDANTS THE PROCTER & GAMBLE COMPANY (US) 1995-10-19 WO disclosed
US-H1468-H Containing perfume selected from ketones, aldehydes, lactones, ethers, esters, alcohols, condensation products of aldehydes and amines PROCTER & GAMBLE COMPANY, THE 1995-08-01 US disclosed
WO-1995007331-A1 LIQUID DETERGENTS WITH N-ALKOXY OR N-ARYLOXY POLYHYDROXY FATTY ACID AMIDE SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1995-03-16 WO disclosed
WO-1995007332-A1 GRANULAR DETERGENT WITH N-ALKOXY OR N-ARYLOXY POLYHYDROXY FATTY ACID AMIDE SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 1995-03-16 WO disclosed
EP-0550048-A1 Inorganic ion exchange material and detergent composition Kao Corporation (JP) 1993-07-07 EP disclosed
EP-0265041-B1 THICKENING SYSTEM FOR CLEANING PRODUCTS INCORPORATING FLUORESCENT WHITENING AGENTS The Clorox Company (US) 1992-11-11 EP disclosed
US-4900469-A Thickened peracid precursor compositions THE CLOROX COMPANY (US) 1990-02-13 US disclosed
US-4764302-A Thickening system for incorporating fluorescent whitening agents THE CLOROX COMPANY (US) 1988-08-16 US disclosed
US-4303701-A IMPREGNATING WITH A FLUORESCENT MATERIAL BUCKBEE-MEARS COMPANY (US) 1981-12-01 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 (1 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-20240216248-A1 MICROBIAL GLYCOLIPIDS UGCG, SGMS1, GPR119 CA1 1552/4885CA2 469/4885CA9 1055/4885

“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.