SCHEMBL1165022

SCHEMBL1165022

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 3/20 0.36
CHRNA7 P36544 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRNA3 P32297 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
SCHEMBL1165084 0.85 CHRNA1 (0.34) CHRNA1CHRNA7L3MBTL1KDM4EGAA
SCHEMBL2892268 0.84 ALDH1A1 (0.37) CHRNA1CHRNA7L3MBTL1LMNACHRNB2
SCHEMBL1165495 0.76 LMNA (0.35) CHRNA1CHRNA7L3MBTL1GAAMAPT
SCHEMBL2893284 0.73 ALDH1A1 (0.42) L3MBTL1KDM4EGAAMAPTLMNA
SCHEMBL2892730 0.71 MT-CO2 (0.39) L3MBTL1LMNAALDH1A1
SCHEMBL119406 0.71 ALDH1A1 (0.37) L3MBTL1LMNAALDH1A1
SCHEMBL14101254 0.71 CHRNA1 (0.41) CHRNA1CHRNA7L3MBTL1LMNACHRNB2
SCHEMBL29728033 0.71 ALDH1A1 (0.37) L3MBTL1LMNAALDH1A1
SCHEMBL611713 0.69 ALDH1A1 (0.47) L3MBTL1KDM4EGAAMAPTLMNA
SCHEMBL31093396 0.69 ALDH1A1 (0.47) L3MBTL1KDM4EGAAMAPTLMNA

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 4004/4885L3MBTL1 23/4885

“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.