SCHEMBL1832735

SCHEMBL1832735

Cc1cc(Cn2cc(-n3cnc(C(F)(F)F)n3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
KCNH2 Q12809 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
AGTR2 P50052 3/20 0.31
KLKB1 P03952 2/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
SKP2 Q13309 1/20 0.30

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
SCHEMBL12402690 0.95 F11 (0.32) F11
SCHEMBL1836701 0.90 PDE4A (0.36) F11AGTR2KLKB1PDE4APDE4B
SCHEMBL1833864 0.88 KCNH2 (0.34) F11KCNH2KLKB1PDE4APDE4B
SCHEMBL1831920 0.85 MEN1 (0.35) F11
SCHEMBL1832987 0.82 KLKB1 (0.35) F11AGTR2KLKB1PDE4APDE4B
SCHEMBL12402686 0.81 MEN1 (0.34) F11
SCHEMBL2161978 0.77 SKP2 (0.38) AGTR2KLKB1PDE4APDE4BPDE4C
SCHEMBL1835191 0.75 CYP19A1 (0.35) F11
SCHEMBL1834733 0.74 ALDH1A1 (0.39) HSP90AA1HSP90AB1SKP2
SCHEMBL2161327 0.74 NR1I3 (0.36) KCNH2HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 F11 3568/4885PSEN1 2886/4885PSEN2 3183/4885

“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.