SCHEMBL514475

SCHEMBL514475

COCOC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 1/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ADRB2 P07550 2/20 0.55
ADRB1 P08588 2/20 0.55
ADRB3 P13945 2/20 0.55
ALOX5 P09917 1/20 0.54
MAPK1 P28482 1/20 0.53
CES1 P23141 1/20 0.52
KCNJ1 P48048 1/20 0.51
KCNH2 Q12809 1/20 0.51
HTT P42858 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL28905348 0.85 MAPT (0.67) ATML3MBTL1POLBMEN1KMT2A
SCHEMBL25272096 0.84 POLB (0.54) ATML3MBTL1POLBMEN1KMT2A
SCHEMBL14898425 0.84 ESR1 (0.52) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL514474 0.83 KMT2A (0.56) ATML3MBTL1POLBMEN1KMT2A
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 0.83 KCNJ1 (0.68) ATML3MBTL1POLBMEN1KMT2A
SCHEMBL813536 0.82 KMT2A (0.71) ATML3MBTL1MEN1KMT2AALDH1A1
SCHEMBL30704446 0.81 MAPT (0.63) ATML3MBTL1POLBMEN1KMT2A
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21246856 0.81 KCNJ1 (0.67) ATML3MBTL1MEN1KMT2AALDH1A1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL28242787 0.81 KCNJ1 (0.67) ATML3MBTL1MEN1KMT2AALDH1A1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL27941051 0.81 KCNJ1 (0.67) ATML3MBTL1MEN1KMT2AALDH1A1

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 7 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-2023104170-A1 COMPOUNDS FOR TREATING POLYQ-RELATED NEURODEGENERATIVE DISORDERS HANGZHOU JIJING PHARMACEUTICAL TECHNOLOGY LIMITED (CN) 2023-06-15 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 ATM 3241/4885L3MBTL1 118/4885POLB 4117/4885

“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.