SCHEMBL513489

SCHEMBL513489

C[CH]OC(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.59
MEN1 O00255 6/20 0.59
TGM2 P21980 1/20 0.55
MAPT P10636 4/20 0.54
NPC1 O15118 3/20 0.54
MAPK1 P28482 2/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MYOC Q99972 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
NAMPT P43490 1/20 0.50
MITF O75030 1/20 0.50
PKM P14618 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
SCHEMBL514114 0.83 KMT2A (0.67) KMT2AMEN1TGM2MAPTNPC1
SCHEMBL514113 0.78 KMT2A (0.65) KMT2AMEN1TGM2MAPTNPC1
SCHEMBL514893 0.78 TDP1 (0.53) TGM2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL513776 0.78 SMN1; SMN2 (0.46) MAPTSMN1; SMN2
SCHEMBL13835692 0.78 MAPT (0.53) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL9838174 0.78 KMT2A (0.63) KMT2AMEN1TGM2MAPTNPC1
SCHEMBL9994168 0.77 MAPT (0.60) KMT2AMEN1TGM2MAPTNPC1
SCHEMBL1532248 0.77 KMT2A (0.59) KMT2AMEN1TGM2MAPTNPC1
SCHEMBL2071222 0.77 KMT2A (0.63) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL3573967 0.77 MAPT (0.66) KMT2AMEN1TGM2MAPTNPC1

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 KMT2A 1766/4885MEN1 3226/4885TGM2 4271/4885

“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.