SCHEMBL679549

SCHEMBL679549

O=[N+]([O-])c1ccc(Oc2cc(Oc3ccc(Cl)c(C(F)(F)F)c3)ncn2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.43
MAPK3 P27361 2/20 0.43
KDR P35968 8/20 0.43
BRAF P15056 3/20 0.43
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
PPOX P50336 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMO O15229 1/20 0.41
PLA2G7 Q13093 1/20 0.40
ESRRA P11474 1/20 0.39
AR P10275 2/20 0.38

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
SCHEMBL7885604 0.86 RAF1 (0.49) RAF1MAPK3KDRBRAFKMO
SCHEMBL7781854 0.84 MAPT (0.54) KDRBRAFMEN1TTRPPOX
SCHEMBL7791086 0.82 KDR (0.49) RAF1MAPK3KDRBRAFKMO
SCHEMBL1201480 0.81 KDR (0.43) RAF1MAPK3KDRBRAFMEN1
SCHEMBL679527 0.80 KDR (0.49) RAF1MAPK3KDRBRAFKMO
SCHEMBL4936761 0.80 PIN1 (0.44) KDRMEN1TTRPPOXKMT2A
SCHEMBL9493313 0.79 SIRT6 (0.49) MEN1TTRPPOXKMT2ATDP1
SCHEMBL679617 0.79 RAF1 (0.45) RAF1MAPK3KDRBRAFKMO
SCHEMBL7776445 0.78 RAF1 (0.46) RAF1MAPK3KDRBRAFKMO
SCHEMBL11410600 0.77 AR (0.54) MEN1TTRPPOXKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4754495-B2 2011-08-24 JP claimed
US-20100204167-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2010-08-12 US claimed
US-20100197737-A1 ACTIVE AGENT COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2010-08-05 US claimed
US-20100168042-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2010-07-01 US claimed
EP-1982594-A1 Active agent combinations with insecticidal and acaricidal properties Bayer CropScience AG (DE) 2008-10-22 EP claimed
US-20080027114-A1 Active Agent Combinations with Insecticidal and Acaricidal Properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-01-31 US claimed
EP-1686858-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERTIES Bayer CropScience AG (DE) 2006-08-09 EP claimed
WO-2005048712-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-02 WO claimed
US-9173394-B2 Active agent combinations having insecticidal and acaricidal properties BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-8962672-B2 Active agent combinations with insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-8778895-B2 Active agent combinations with insecticidal and acaricidal properties BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-15 US disclosed
EP-1982594-B1 Active agent combinations with insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2014-05-14 EP disclosed
US-20120010076-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERITIES BAYER CROPSCIENCE AG (DE) 2012-01-12 US disclosed
US-8044085-B2 Active agent combinations with insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2011-10-25 US disclosed
EP-1686858-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERTIES Bayer CropScience AG (DE) 2006-08-09 EP disclosed
WO-2005048712-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-06-02 WO disclosed
US-20040186171-A1 Combinations of active ingredients with insecticidal and acaricidal properties BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-09-23 US disclosed
US-6706758-B2 SYNERGISTIC DIHYDROFURANONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2004-03-16 US disclosed
US-20040023959-A1 Active agent combinations with insecticidal and acaricidal properties BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-02-05 US disclosed
US-20030114312-A1 Combinations of active ingredients with insecticidal and acaricidal properties BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-06-19 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 (8 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-20030114312-A1 Combinations of active ingredients with insecticidal and acaricidal properties ACAA2, AADAC, ACACA RAF1 3554/4885MAPK3 3527/4885KDR 4806/4885
US-20100197737-A1 ACTIVE AGENT COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES ACHE, AADAC, AMY1A RAF1 3886/4885MAPK3 4425/4885KDR 4715/4885
US-20080027114-A1 Active Agent Combinations with Insecticidal and Acaricidal Properties AADAC, ACAA2, AAAS RAF1 3003/4885MAPK3 1756/4885KDR 4717/4885
US-20040023959-A1 Active agent combinations with insecticidal and acaricidal properties ACAA2, AADAC, ACHE RAF1 3517/4885MAPK3 3361/4885KDR 4746/4885
US-20120010076-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERITIES ACAA2, ACHE, AADAC RAF1 3027/4885MAPK3 2527/4885KDR 4766/4885
US-20040186171-A1 Combinations of active ingredients with insecticidal and acaricidal properties AADAC, CYP51A1, ACAA2 RAF1 3742/4885MAPK3 3108/4885KDR 4802/4885
US-20100204167-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES ACHE, ACAT2, ACAT1 RAF1 4283/4885MAPK3 4272/4885KDR 4834/4885
US-20100168042-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERTIES AADAC, ACAA2, AAAS RAF1 3003/4885MAPK3 1756/4885KDR 4717/4885

“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.