SCHEMBL501967

SCHEMBL501967

FCCCNCc1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
OXTR P30559 1/20 0.47
AVPR1A P37288 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
CHRM2 P08172 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PLK1 P53350 1/20 0.43
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NLRP3 Q96P20 1/20 0.40
CXCR4 P61073 1/20 0.40

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
SCHEMBL7992477 0.87 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL4854056 0.86 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL1797036 0.86 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1OXTR
Hydrochloric Acid SCHEMBL7504260 0.85 OXTR (0.49) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL10483911 0.85 KDM4E (0.49) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL6444346 0.83 KDM4E (0.60) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL5833308 0.83 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL1798367 0.83 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL5884859 0.83 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL7761434 0.82 KDM4E (0.65) KDM4EGAAMAPTL3MBTL1OXTR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443090-B1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS FOR CONTROLLING PESTS BAYER IP GMBH (DE) 2017-03-29 EP disclosed
EP-2049488-B1 N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES BAYER IP GMBH (DE) 2015-12-09 EP disclosed
EP-2004635-B1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER IP GMBH (DE) 2015-09-23 EP disclosed
EP-2638010-B1 METHOD FOR PREPARING 2,2-DIFLUOROETHYLAMINE DERIVATIVES STARTING FROM N-(2,2-DIFLUOROETHYL)PROP-2-EN-1-AMINE BAYER IP GMBH (DE) 2014-12-31 EP disclosed
EP-2582673-B1 PROCESS FOR THE PREPARATION OF 2,2-DIFLUOROETHYLAMINE DERIVATIVES BY ALKYLATION WITH 2,2-DIFLUORO-1-HALOGENO-ETHANES BAYER IP GMBH (DE) 2014-08-06 EP disclosed
EP-2327304-B1 Use of substituted enaminocarbonyl compounds for combating animal pests BAYER CROPSCIENCE AG (DE) 2014-08-06 EP disclosed
CN-102459184-B Substituted enamino carbonyl compounds BAYER CROPSCIENCE AG 2014-05-07 CN disclosed
US-8586756-B2 Process for the preparation of 2,2-difluoroethylamine derivatives starting from N-(2,2-difluoroethyl)prop-2-en-1-amine BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
US-8546577-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2013-10-01 US disclosed
US-8466293-B2 Process for preparing 2,2-difluoroethylamine derivatives by alkylation with 2,2-difluoroethyl-1-haloethanes BAYER CROPSCIENCE AG (DE) 2013-06-18 US disclosed
US-20120123130-A1 PROCESS FOR THE PREPARATION OF 2,2-DIFLUOROETHYLAMINE DERIVATIVES STARTING FROM N-(2,2-DIFLUOROETHYL)PROP-2-EN-1-AMINE BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
CN-102459184-A Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG 2012-05-16 CN disclosed
US-8138350-B2 N′-cyano-N-halogenalkylimidamide derivatives BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-8106211-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2012-01-31 US disclosed
US-20110306770-A1 Process for preparing 2-2-difluoroethylamine derivatives by alkylation with 2-2-difluoroethyl-1-haloethanes BAYER CROPSCIENCE AG (DE) 2011-12-15 US disclosed
EP-2327304-A1 Use of substituted enaminocarbonyl compounds for combating animal pests Bayer CropScience AG (DE) 2011-06-01 EP disclosed
US-20100324103-A1 Substituted Enaminocarbonyl Compounds BAYER CROPSCIENCE AG (DE) 2010-12-23 US disclosed
EP-2264008-A1 Substituted enaminocarbonyl compounds Bayer CropScience AG (DE) 2010-12-22 EP disclosed
US-20100048646-A1 N'-Cyano-N-Halogenalkylimidamide Derivatives BAYER CROPSCIENCE AG (DE) 2010-02-25 US disclosed
US-20090253749-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG 2009-10-08 US 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 (5 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-20110306770-A1 Process for preparing 2-2-difluoroethylamine derivatives by alkylation with 2-2-difluoroethyl-1-haloethanes TPO, GBA2, SSTR2 KDM4E 3254/4885GAA 726/4885MAPT 4578/4885
US-20100324103-A1 Substituted Enaminocarbonyl Compounds DDT, L3MBTL3, L3MBTL4 KDM4E 2288/4885GAA 1226/4885MAPT 4237/4885
US-20090253749-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS DDT, NPEPPS, L3MBTL4 KDM4E 613/4885GAA 1096/4885MAPT 3915/4885
US-20100048646-A1 N'-Cyano-N-Halogenalkylimidamide Derivatives NCLN, NISCH, DDT KDM4E 2289/4885GAA 2313/4885MAPT 4742/4885
US-20120123130-A1 PROCESS FOR THE PREPARATION OF 2,2-DIFLUOROETHYLAMINE DERIVATIVES STARTING FROM N-(2,2-DIFLUOROETHYL)PROP-2-EN-1-AMINE AFF2, AFF1, AFF4 KDM4E 519/4885GAA 1522/4885MAPT 2934/4885

“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.