SCHEMBL513490

SCHEMBL513490

[CH2]OC(=O)N(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GAA P10253 2/20 0.53
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
ATM Q13315 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 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
SCHEMBL1854417 0.85 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2GAAMAPK1MAPT
SCHEMBL7870367 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAMAPK1MAPT
SCHEMBL380709 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAAMAPK1MAPT
SCHEMBL8751720 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAAMAPTL3MBTL1
SCHEMBL11002701 0.80 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GAAMAPK1MAPT
SCHEMBL7876880 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAMAPK1MAPT
SCHEMBL1532324 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAMAPK1MAPT
SCHEMBL2103568 0.79 MAPK1 (0.55) ALDH1A1SMN1; SMN2GAAMAPK1MAPT
SCHEMBL12047925 0.78 ALDH1A1 (0.89) ALDH1A1SMN1; SMN2GAAL3MBTL1TDP1
SCHEMBL7878478 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GAAMAPK1MAPT

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 ALDH1A1 1574/4885SMN1; SMN2 4115/4885GAA 4215/4885

“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.