SCHEMBL22322504

SCHEMBL22322504

CCOC(=O)C[n+]1ccc(-c2cccs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC3 O15379 2/20 0.49
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
TSHR P16473 4/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL22322499 0.85 KMT2A (0.48) HDAC1HDAC2HDAC3KMT2AALDH1A1
Bromide SCHEMBL9243928 0.81 ALDH1A1 (0.47) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL27484846 0.78 HDAC1 (0.50) HDAC1HDAC2HDAC3KMT2AALDH1A1
SCHEMBL28360786 0.78 PPID (0.49) ALDH1A1MAPTHSD17B10KDM4ECASP1
Hydrochloric Acid SCHEMBL28356951 0.77 PPID (0.48) ALDH1A1MAPTHSD17B10KDM4ECASP1
Hydrochloric Acid SCHEMBL28356953 0.77 PPID (0.48) ALDH1A1MAPTHSD17B10KDM4ECASP1
SCHEMBL8971275 0.76 ALDH1A1 (0.45) KMT2AALDH1A1MEN1LMNAPPARG
Hydrochloric Acid SCHEMBL30008506 0.75 PPID (0.47) KMT2AALDH1A1MAPTHSD17B10KDM4E
SCHEMBL11838713 0.75 MAPT (0.48) HDAC1HDAC2HDAC3KMT2AALDH1A1
SCHEMBL21150140 0.75 ALDH1A1 (0.47) KMT2AALDH1A1MEN1MAPTLMNA

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
EP-3920701-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2021-12-15 EP claimed
WO-2020161163-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO claimed
US-20220104493-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-04-07 US disclosed
EP-3920701-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2021-12-15 EP disclosed
CN-113412055-A Herbicidal compounds 先正达农作物保护股份公司 2021-09-17 CN disclosed
WO-2020161163-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO 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-20220104493-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 HDAC1 776/4885HDAC2 1379/4885HDAC3 626/4885

“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.