SCHEMBL1165084

SCHEMBL1165084

CCN(Cc1ccc(Cl)nc1)C1=CC(=S)SC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.34
CHRNA7 P36544 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 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
SCHEMBL1165022 0.85 CHRNA1 (0.36) CHRNA1CHRNA7KDM4EGAAMAPT
SCHEMBL1165311 0.78 ALDH1A1 (0.33) CHRNA1CHRNA7MAPTMEN1ALDH1A1
SCHEMBL2893249 0.72 ALDH1A1 (0.35) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL2890160 0.72 MT-CO2 (0.37) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL2892268 0.69 ALDH1A1 (0.37) CHRNA1CHRNA7L3MBTL1MEN1ALDH1A1
SCHEMBL5048184 0.68 HRH3 (0.50) CHRNA1CHRNA7KDM4EGAAMAPT
SCHEMBL29572122 0.66 ALDH1A1 (0.36) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL230649 0.66 ALDH1A1 (0.36) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL611713 0.65 ALDH1A1 (0.47) KDM4EGAAMAPTL3MBTL1MEN1
SCHEMBL31093396 0.65 ALDH1A1 (0.47) KDM4EGAAMAPTL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039894-A1 SUBSTITUTED ENAMINOTHIOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-02-17 US claimed
EP-2262798-A2 SUBSTITUTED ENAMINOTHIOCARBONYL COMPOUNDS Bayer CropScience AG (DE) 2010-12-22 EP claimed
WO-2009121507-A2 SUBSTITUTED ENAMINOTHIOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-10-08 WO claimed
EP-2107058-A1 Substituted enaminothiocarbonyl compounds Bayer CropScience AG (DE) 2009-10-07 EP claimed
US-8563584-B2 Substituted enaminothiocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2013-10-22 US disclosed
US-20110039894-A1 SUBSTITUTED ENAMINOTHIOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
EP-2107058-A1 Substituted enaminothiocarbonyl compounds Bayer CropScience AG (DE) 2009-10-07 EP disclosed
EP-2107058-A1 Substituted enaminothiocarbonyl compounds Bayer CropScience AG (DE) 2009-10-07 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-20110039894-A1 SUBSTITUTED ENAMINOTHIOCARBONYL COMPOUNDS DDT, PTMS, AADAC CHRNA1 4584/4885CHRNA7 4004/4885KDM4E 1959/4885

“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.