SCHEMBL514137

SCHEMBL514137

COCOC(=O)c1ccccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
TSHR P16473 5/20 0.50
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL514136 0.84 MAPT (0.50) ALDH1A1TSHRGAAMAPTKDM4E
SCHEMBL120324 0.83 TSHR (0.67) ALDH1A1TSHRGAAMAPTKDM4E
SCHEMBL8606695 0.82 TSHR (0.68) ALDH1A1TSHRKDM4ETDP1HSD17B10
SCHEMBL181067 0.81 ALDH1A1 (0.55) ALDH1A1TSHRGAAMAPTKDM4E
SCHEMBL24112449 0.81 MAPT (0.53) ALDH1A1TSHRGAAMAPTKDM4E
SCHEMBL31575930 0.81 ALDH1A1 (0.69) ALDH1A1TSHRGAAMAPTKDM4E
SCHEMBL10499243 0.80 MAPT (0.49) ALDH1A1TSHRGAAMAPTKDM4E
SCHEMBL9277021 0.78 TSHR (0.71) ALDH1A1TSHRKDM4ETDP1HSD17B10
SCHEMBL514479 0.78 TSHR (0.53) ALDH1A1TSHRGAAKDM4ELMNA
SCHEMBL16127330 0.77 ALDH1A1 (0.63) ALDH1A1TSHRMAPTKDM4ETDP1

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 1574/4885TSHR 307/4885GAA 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.