SCHEMBL514886

SCHEMBL514886

[CH2]OCOC(=O)c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
PARP1 P09874 1/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
CYP1A2 P05177 1/20 0.47
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
KMT2A Q03164 2/20 0.45
RXFP1 Q9HBX9 2/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL514887 0.83 KDM4E (0.60) MAPK1KDM4ELMNATSHRPARP1
SCHEMBL245137 0.81 KDM4E (0.65) MAPK1KDM4ELMNATSHRSMN1; SMN2
SCHEMBL29627840 0.81 KDM4E (0.65) MAPK1KDM4ELMNATSHRSMN1; SMN2
SCHEMBL514262 0.80 PARP1 (0.57) MAPK1KDM4ELMNATSHRPARP1
SCHEMBL2332900 0.79 MAPK1 (0.59) MAPK1KDM4ELMNATSHRPARP1
SCHEMBL31688807 0.79 KDM4E (0.55) MAPK1KDM4ELMNATSHRPARP1
SCHEMBL4428838 0.79 KDM4E (0.55) MAPK1KDM4ELMNATSHRPARP1
SCHEMBL514539 0.78 TDP1 (0.59) MAPK1KDM4ELMNATSHRGAA
SCHEMBL15344554 0.78 LMNA (0.68) MAPK1KDM4ELMNATSHRPARP1
SCHEMBL9463857 0.77 MAPK1 (0.56) MAPK1KDM4ELMNATSHRPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 MAPK1 1508/4885KDM4E 3260/4885LMNA 4076/4885

“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.