SCHEMBL514812

SCHEMBL514812

[CH2]OC(=O)N(C)c1ccccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HTT P42858 1/20 0.39
GAA P10253 5/20 0.39
HDAC6 Q9UBN7 2/20 0.38
KMT2A Q03164 2/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL8544711 0.85 GAA (0.44) ALDH1A1HTTGAAHDAC6KMT2A
SCHEMBL8835734 0.81 ALDH1A1 (0.49) ALDH1A1GAAHDAC6KMT2ATSHR
SCHEMBL17086067 0.81 ALDH1A1 (0.41) ALDH1A1HTTGAAHDAC6KMT2A
SCHEMBL28617457 0.77 MAPK3 (0.43) ALDH1A1HTTGAAHDAC6KMT2A
SCHEMBL28679627 0.77 ALDH1A1 (0.39) ALDH1A1HTTGAAHDAC6KMT2A
SCHEMBL11789572 0.77 ALDH1A1 (0.41) ALDH1A1HTTGAAHDAC6KMT2A
SCHEMBL31612303 0.75 ALDH1A1 (0.40) ALDH1A1HTTGAAHDAC6KMT2A
SCHEMBL27701441 0.75 POLB (0.42) ALDH1A1HTTGAAHDAC6KMT2A
SCHEMBL515080 0.75 DDB1 (0.43) ALDH1A1GAAKMT2ATSHRSMN1; SMN2
SCHEMBL514179 0.75 LIPE (0.43) ALDH1A1GAATSHRSMN1; SMN2NPC1

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 ALDH1A1 1574/4885HTT 2451/4885GAA 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.