SCHEMBL2469816

SCHEMBL2469816

Nc1c(F)c(C2CC2)nc(C(=O)O)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
HCAR2 Q8TDS4 1/20 0.41
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
ACHE P22303 1/20 0.31
MDM2 Q00987 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ASPH Q12797 1/20 0.30
KDM8 Q8N371 1/20 0.30

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
SCHEMBL15791914 0.94 TDP1 (0.46) TDP1HCAR2MDM2
SCHEMBL2469159 0.85 TDP1 (0.58) TDP1HCAR2FABP4FABP5ACHE
SCHEMBL2466704 0.82 NPSR1 (0.37) TDP1KDM4E
SCHEMBL2469819 0.78
SCHEMBL20955505 0.76 TDP1 (0.41) TDP1KDM4E
SCHEMBL29928384 0.76 TDP1 (0.69) TDP1HCAR2MDM2KDM4EASPH
SCHEMBL1424187 0.76 TDP1 (0.69) TDP1HCAR2MDM2KDM4EASPH
SCHEMBL11027976 0.76 DGAT1 (0.42) TDP1
SCHEMBL19187069 0.75 TDP1 (0.56) TDP1HCAR2KDM4EASPHKDM8
SCHEMBL15791792 0.75 TDP1 (0.45) TDP1HCAR2MDM2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102223795-A Herbicide-safener combination BAYER CROPSCIENCE AG 2011-10-19 CN claimed
EP-2369927-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP claimed
US-20100137136-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US claimed
WO-2010060579-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO claimed
CN-102223795-A Herbicide-safener combination BAYER CROPSCIENCE AG 2011-10-19 CN disclosed
EP-2369927-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
EP-2210492-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-07-28 EP disclosed
US-20100137136-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
WO-2010060579-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
WO-2006062979-A1 HERBICIDAL 6-CYCLOPROPYL-SUBSTITUTE 4-AMINOPICOLINIC ACID DERIVATIVES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-06-15 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 (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-20100137136-A1 HERBICIDE/SAFENER COMBINATION DDT, GAP43, CYP2W1 TDP1 471/4885HCAR2 749/4885FABP4 1319/4885

“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.