SCHEMBL2581182

SCHEMBL2581182

O=C1OCCCN1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP4 P49662 1/20 0.43
CASP5 P51878 1/20 0.43
TSHR P16473 1/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
TACR1 P25103 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1962989 0.80 MAPT (0.62) ACHESIRT2SIRT1ALDH1A1KDM4E
SCHEMBL2582291 0.79 ACHE (0.62) ACHESIRT2SIRT1ALDH1A1KDM4E
SCHEMBL2583214 0.77 PIK3CD (0.44) SIRT2SIRT1ALDH1A1KDM4EMEN1
SCHEMBL514404 0.76 ACHE (0.48) ACHESIRT2SIRT1ALDH1A1KDM4E
SCHEMBL20695806 0.74 KDM4E (0.44) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL2577267 0.74 ACHE (0.49) ACHESIRT2SIRT1ALDH1A1KDM4E
SCHEMBL13463537 0.73 SIRT2 (0.41) SIRT2SIRT1ALDH1A1KDM4EMEN1
SCHEMBL2783969 0.73 ALDH1A1 (0.53) ACHEALDH1A1KDM4EMEN1POLB
SCHEMBL9016265 0.73 GRM2 (0.56) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL2372693 0.73 ACHE (0.70) ACHEALDH1A1KDM4EMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048825-B2 Haloalkylsulfonanilide derivatives or salt thereof, herbicide comprising the derivatives as active ingredient, and use of the herbicide NIHON NOHYAKU CO., LTD. (JP) 2011-11-01 US disclosed
US-20100016164-A1 HALOALKYLSULFONANILIDE DERIVATIVES OR SALT THEREOF, HERBICIDE COMPRISING THE DERIVATIVES AS ACTIVE INGREDIENT, AND USE OF THE HERBICIDE NIHON NOHYAKU CO., LTD. (JP) 2010-01-21 US disclosed
EP-2085392-A1 HALOALKYLSULFONANILIDE DERIVATIVE OR SALT THEREOF, HERBICIDE COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT, AND USE OF THE HERBICIDE Nihon Nohyaku CO., LTD. (JP) 2009-08-05 EP 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-20100016164-A1 HALOALKYLSULFONANILIDE DERIVATIVES OR SALT THEREOF, HERBICIDE COMPRISING THE DERIVATIVES AS ACTIVE INGREDIENT, AND USE OF THE HERBICIDE HDHD5, CBR3, DHRS9 ACHE 190/4885SIRT2 2413/4885SIRT1 2520/4885

“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.