SCHEMBL514474

SCHEMBL514474

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
ALDH1A1 P00352 4/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALOX5 P09917 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CES1 P23141 1/20 0.52
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
KCNJ1 P48048 1/20 0.51
KCNH2 Q12809 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.49
POLB P06746 1/20 0.49
GSK3B P49841 1/20 0.49

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
SCHEMBL514475 0.83 ATM (0.57) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL9317594 0.83 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL813536 0.82 KMT2A (0.71) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL22609609 0.81 GSK3B (0.62) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL514703 0.80 CES1 (0.61) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL11309248 0.79 MEN1 (0.68) KMT2AMEN1ALDH1A1MAPTKDM4E
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 0.79 KCNJ1 (0.68) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL11843509 0.79 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL7074293 0.79 MEN1 (0.68) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL9700739 0.79 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTKDM4E

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-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-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 KMT2A 1766/4885MEN1 3226/4885ALDH1A1 1574/4885

“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.