SCHEMBL2582267

SCHEMBL2582267

Nc1ccccc1CN1CCC(c2ccccc2)OC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
FADS1 O60427 3/20 0.46
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CETP P11597 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
HTR6 P50406 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
NCOR2 Q9Y618 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL2577267 0.80 ACHE (0.49) HSD11B1FADS1SIRT2SIRT1KDM4E
SCHEMBL2581430 0.75 FADS1 (0.39) HSD11B1FADS1CETPDDB1CRBN
SCHEMBL2578048 0.74 SIRT2 (0.41) SIRT2SIRT1KDM4EALDH1A1CYP1A2
SCHEMBL4326102 0.73 CETP (0.49) HSD11B1FADS1CETPMAPTSMN1; SMN2
SCHEMBL15949338 0.71 HSD11B1 (0.44) HSD11B1FADS1GRM2
SCHEMBL2583214 0.71 PIK3CD (0.44) SIRT2SIRT1HDAC1KDM4EALDH1A1
SCHEMBL4923661 0.70 SIRT2 (0.48) FADS1SIRT2SIRT1MAPTMEN1
SCHEMBL13463537 0.70 SIRT2 (0.41) SIRT2SIRT1KDM4EALDH1A1CYP1A2
SCHEMBL2895926 0.69 FADS1 (0.55) FADS1CETPKDM4EALDH1A1CYP3A4
SCHEMBL1964382 0.69 PER2 (0.46) SIRT2SIRT1ALDH1A1MAPTMEN1

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 HSD11B1 237/4885FADS1 1981/4885SIRT2 2413/4885

“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.