SCHEMBL2580906

SCHEMBL2580906

CC(CO)CCNCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 3/20 0.47
TSHR P16473 1/20 0.46
CA12 O43570 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL19840868 0.83 CYP2C19 (0.48) CYP2C19POLBALDH1A1KMT2AKDM4E
SCHEMBL514501 0.81 ALDH1A1 (0.58) CYP2C19POLBALDH1A1KMT2AKDM4E
SCHEMBL2578117 0.79 ALDH1A1 (0.55) CYP2C19POLBALDH1A1KMT2AKDM4E
SCHEMBL4916965 0.79 POLB (0.53) CYP2C19POLBALDH1A1KMT2AKDM4E
SCHEMBL2581202 0.78 ALDH1A1 (0.53) CYP2C19POLBALDH1A1KMT2AKDM4E
SCHEMBL6953167 0.78 ALDH1A1 (0.54) CYP2C19POLBALDH1A1KMT2AKDM4E
SCHEMBL1666014 0.78 ALDH1A1 (0.56) CYP2C19POLBALDH1A1KMT2AMEN1
SCHEMBL1665641 0.78 ALDH1A1 (0.56) CYP2C19POLBALDH1A1KMT2AMEN1
SCHEMBL19214784 0.77 ALDH1A1 (0.53) CYP2C19POLBALDH1A1KMT2AKDM4E
SCHEMBL18157988 0.76 ALDH1A1 (0.46) CYP2C19POLBALDH1A1KMT2AKDM4E

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 5 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
CN-101535283-B Haloalkylsulfonanilide derivative or salt thereof, herbicide containing the derivative as active ingredient, and use of the herbicide NIHON NOHYAKU CO LTD 2011-08-17 CN 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
CN-101535283-A Haloalkylsulfonanilide derivative or salt thereof, herbicide containing the derivative as active ingredient, and use of the herbicide NIHON NOHYAKU CO LTD (JP) 2009-09-16 CN 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 CYP2C19 582/4885POLB 3398/4885ALDH1A1 835/4885

“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.