SCHEMBL1165100

SCHEMBL1165100

CN(Cc1cccnc1)C1=CC(=S)OC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CHRNA7 P36544 1/20 0.41
OPRK1 P41145 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
GBA1 P04062 1/20 0.39
LMNA P02545 2/20 0.39
RIPK1 Q13546 1/20 0.39
MAPK1 P28482 1/20 0.37
NR3C2 P08235 1/20 0.36
DHODH Q02127 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL2887187 0.84 CHRNB2 (0.50) CHRNB2CHRNA4ALDH1A1KDM4ECHRNA7
SCHEMBL1165139 0.77 CYP11B1 (0.33)
SCHEMBL1165495 0.77 LMNA (0.35) CHRNB2CHRNA4ALDH1A1CHRNA7LMNA
SCHEMBL12888668 0.70 CHRNB2 (0.67) CHRNB2CHRNA4ALDH1A1KDM4ECHRNA7
SCHEMBL1165504 0.69
SCHEMBL10028665 0.69 CHRNB2 (0.85) CHRNB2CHRNA4ALDH1A1KDM4ECHRNA7
SCHEMBL3460939 0.69 CHRNB2 (1.00) CHRNB2CHRNA4ALDH1A1KDM4ECHRNA7
SCHEMBL30632262 0.69 CHRNB2 (1.00) CHRNB2CHRNA4ALDH1A1KDM4ECHRNA7
SCHEMBL6583746 0.67 KDM4E (0.78) CHRNB2CHRNA4ALDH1A1KDM4ECHRNA7
SCHEMBL22928701 0.67 CHRNB2 (0.75) CHRNB2CHRNA4ALDH1A1KDM4ECHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262798-B1 SUBSTITUTED ENAMINOTHIOCARBONYL COMPOUNDS BAYER IP GMBH (DE) 2016-06-08 EP disclosed
EP-2262798-B1 SUBSTITUTED ENAMINOTHIOCARBONYL COMPOUNDS BAYER IP GMBH (DE) 2016-06-08 EP disclosed
US-8563584-B2 Substituted enaminothiocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2013-10-22 US disclosed
US-8563584-B2 Substituted enaminothiocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2013-10-22 US disclosed
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
US-20110039894-A1 SUBSTITUTED ENAMINOTHIOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
US-20110039894-A1 SUBSTITUTED ENAMINOTHIOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
WO-2009121507-A2 SUBSTITUTED ENAMINOTHIOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-10-08 WO 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 CHRNB2 3996/4885CHRNA4 4106/4885ALDH1A1 4332/4885

“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.