SCHEMBL1165738

SCHEMBL1165738

S=C1C=C(NCc2ccc(Cl)nc2)CO1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL230414 0.83 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL163147 0.70 GAA (0.38) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL1165495 0.70 LMNA (0.35) GAAMAPTL3MBTL1ALDH1A1
SCHEMBL2893384 0.69 POLB (0.58) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL1165522 0.69 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1165311 0.69 ALDH1A1 (0.33) MAPTALDH1A1
SCHEMBL6243610 0.68 GAA (0.59) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL1165093 0.68 NPC1 (0.33) ALDH1A1POLB
SCHEMBL9279836 0.68 GAA (0.63) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL18919554 0.67 GAA (0.69) KDM4EGAAMAPTL3MBTL1ALDH1A1

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 16 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-2107058-A1 Substituted enaminothiocarbonyl compounds Bayer CropScience AG (DE) 2009-10-07 EP claimed
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
EP-2262798-A2 SUBSTITUTED ENAMINOTHIOCARBONYL COMPOUNDS Bayer CropScience AG (DE) 2010-12-22 EP disclosed
WO-2009121507-A2 SUBSTITUTED ENAMINOTHIOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-10-08 WO 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
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 KDM4E 1959/4885GAA 1688/4885MAPT 2978/4885

“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.