SCHEMBL678557

SCHEMBL678557

CCOCn1c(C)c(Br)c(C#N)c1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 9/20 0.36
ALDH1A1 P00352 8/20 0.36
HPGD P15428 6/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 3/20 0.33
RXFP1 Q9HBX9 3/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
ACVR1 Q04771 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
SCHEMBL27810755 0.84 GRIA2 (0.34) KMT2AMEN1KDM4EALDH1A1HPGD
Chlorfenapyr SCHEMBL40337 0.83 RXFP1 (0.35) KMT2AMEN1KDM4EALDH1A1HPGD
Chlorfenapyr SCHEMBL28530561 0.82 RXFP1 (0.35) KMT2AMEN1KDM4EALDH1A1HPGD
Chlorfenapyr SCHEMBL27488880 0.82 RXFP1 (0.35) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL7782866 0.82 NPSR1 (0.35) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL9567374 0.82 RXFP1 (0.34) KMT2AMEN1KDM4EALDH1A1HPGD
Chlorfenapyr SCHEMBL28508419 0.82 RXFP1 (0.36) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL10590618 0.81 KDM4E (0.36) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL9567326 0.80 RXFP1 (0.32) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL9840263 0.79 ALDH1A1 (0.34) KMT2AMEN1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160044921-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2016-02-18 US disclosed
US-8962672-B2 Active agent combinations with insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20140287915-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2014-09-25 US disclosed
US-20120114726-A1 INSECTICIDE-COATED SUBSTRATE FOR PROTECTING HUMANS AND PETS BASF SE (DE) 2012-05-10 US disclosed
US-20120114727-A1 INSECTICIDAL SHEET-LIKE STRUCTURE FOR PROTECTING HUMANS AND DOMESTIC ANIMALS BASF SE (DE) 2012-05-10 US disclosed
US-20120010076-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERITIES BAYER CROPSCIENCE AG (DE) 2012-01-12 US disclosed
US-20110275583-A1 Synergistic active compound combinations BAYER CROPSCIENCE AG (DE) 2011-11-10 US disclosed
US-20110201662-A1 METHOD FOR PRODUCING XPS MOULDED PIECES PROVIDED WITH INSECTICIDE BASF SE (DE) 2011-08-18 US disclosed
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
US-20110002998-A1 PROCESS FOR THE PRODUCTION OF INSECTICIDE-MODIFIED BEAD MATERIAL COMPOSED OF EXPANDABLE POLYSTYRENE AND INSECTICIDE-MODIFIED MOLDINGS OBTAINABLE THEREFROM BASF SE (DE) 2011-01-06 US disclosed
US-20080293676-A1 Insecticidal Agents Based on Selected Insecticides and Safeners BAYER CROPSCIENCE AG (DE) 2008-11-27 US disclosed
US-20080293676-A1 Insecticidal Agents Based on Selected Insecticides and Safeners BAYER CROPSCIENCE AG (DE) 2008-11-27 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 (10 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-20110002998-A1 PROCESS FOR THE PRODUCTION OF INSECTICIDE-MODIFIED BEAD MATERIAL COMPOSED OF EXPANDABLE POLYSTYRENE AND INSECTICIDE-MODIFIED MOLDINGS OBTAINABLE THEREFROM POR, PICALM, HEATR6 KMT2A 1284/4885MEN1 3735/4885KDM4E 1567/4885
US-20160044921-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 KMT2A 3793/4885MEN1 4379/4885KDM4E 3316/4885
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 KMT2A 3793/4885MEN1 4379/4885KDM4E 3316/4885
US-20140287915-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 KMT2A 3793/4885MEN1 4379/4885KDM4E 3316/4885
US-20120010076-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERITIES ACAA2, ACHE, AADAC KMT2A 1972/4885MEN1 4243/4885KDM4E 793/4885
US-20110275583-A1 Synergistic active compound combinations ACHE, ACAT2, ACAT1 KMT2A 3689/4885MEN1 4010/4885KDM4E 3985/4885
US-20120114727-A1 INSECTICIDAL SHEET-LIKE STRUCTURE FOR PROTECTING HUMANS AND DOMESTIC ANIMALS L3MBTL4, L3MBTL3, L3MBTL1 KMT2A 3063/4885MEN1 2222/4885KDM4E 4000/4885
US-20120114726-A1 INSECTICIDE-COATED SUBSTRATE FOR PROTECTING HUMANS AND PETS DDT, PIR, CYP3A43 KMT2A 1290/4885MEN1 2239/4885KDM4E 1904/4885
US-20110201662-A1 METHOD FOR PRODUCING XPS MOULDED PIECES PROVIDED WITH INSECTICIDE CYP2F1, CYP4F3, CYP4F2 KMT2A 1329/4885MEN1 3255/4885KDM4E 97/4885
US-20080293676-A1 Insecticidal Agents Based on Selected Insecticides and Safeners ACHE, NCS1, HCN1 KMT2A 1003/4885MEN1 2739/4885KDM4E 1290/4885

“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.