SCHEMBL2583214

SCHEMBL2583214

Nc1ccccc1CN1CCCOC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
GRM2 Q14416 3/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
MAPT P10636 2/20 0.41
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RX7 Q99572 3/20 0.37
PER2 O15055 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
SCHEMBL13463537 0.95 SIRT2 (0.41) PIK3CDGRM2SIRT2SIRT1MAPT
SCHEMBL20695806 0.79 KDM4E (0.44) GRM2MAPTKDM4EALDH1A1CYP1A2
SCHEMBL9016265 0.78 GRM2 (0.56) PIK3CDGRM2MAPTKDM4EALDH1A1
SCHEMBL2581182 0.77 ACHE (0.48) SIRT2SIRT1KDM4EALDH1A1POLB
SCHEMBL27834661 0.77 MAPT (0.68) SIRT2SIRT1MAPTKDM4EALDH1A1
SCHEMBL14537170 0.76 MAPK1 (0.56) SIRT2SIRT1MAPTALDH1A1POLB
SCHEMBL2578048 0.76 SIRT2 (0.41) GRM2SIRT2SIRT1MAPTKDM4E
SCHEMBL14403257 0.73 ALDH1A1 (0.67) SIRT2SIRT1MAPTKDM4EALDH1A1
SCHEMBL514643 0.73 SIRT2 (0.42) GRM2SIRT2SIRT1PER2CRY2
SCHEMBL5584770 0.72 MPO (0.51) GRM2SIRT2SIRT1MAPTKDM4E

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 PIK3CD 1776/4885GRM2 1887/4885SIRT2 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.