SCHEMBL4518577

SCHEMBL4518577

COc1c(Cl)cc(OCC=C(Cl)Cl)cc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
GALK1 P51570 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.35
MAPK10 P53779 2/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX5 P09917 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
ACHE P22303 1/20 0.33
HTR4 Q13639 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL4621204 0.88 HTT (0.44) HTTGALK1ALDH1A1KDM4EGAA
SCHEMBL4505005 0.88 HTT (0.41) HTTGALK1ALDH1A1KDM4EGAA
SCHEMBL4509637 0.87 ALDH1A1 (0.49) HTTGALK1ALDH1A1KDM4EGAA
SCHEMBL4512881 0.87 GALK1 (0.52) HTTGALK1ALDH1A1KDM4EGAA
SCHEMBL4125338 0.85 HTT (0.39) HTTGALK1ALDH1A1KDM4EGAA
SCHEMBL13614127 0.84 HTT (0.42) HTTGALK1ALDH1A1KDM4EGAA
SCHEMBL4132408 0.83 HTT (0.37) HTTGALK1ALDH1A1KDM4EGAA
SCHEMBL4127222 0.81 HTT (0.36) HTTGALK1ALDH1A1ALOX5MEN1
SCHEMBL4127220 0.81 HTT (0.36) HTTGALK1ALDH1A1ALOX5MEN1
SCHEMBL4512353 0.80 GALK1 (0.44) HTTGALK1ALDH1A1KDM4EGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042957-A1 Substituted Oxyarenes BAYER CROPSCIENCE AG (DE) 2009-02-12 US disclosed
EP-1638962-A2 SUBSTITUTED OXYARENES UND DEREN VERWENDUNG ZUR BEKÄMPFUNG VON SCHÄDLINGEN Bayer CropScience AG (DE) 2006-03-29 EP disclosed
WO-2004099197-A2 SUBSTITUTED OXYARENES, AND USE THEREOF FOR CONTROLLING PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-11-18 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-20090042957-A1 Substituted Oxyarenes CYP1A1, OXER1, CYP1A2 HTT 3097/4885GALK1 2216/4885ALDH1A1 544/4885

“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.