SCHEMBL1833544

SCHEMBL1833544

Nc1ccc(Cn2cc(C(F)(F)C(F)(F)F)c(C(F)(F)C(F)(F)F)n2)cc1I

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
GRIA2 P42262 3/20 0.30
KLKB1 P03952 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
SCHEMBL2161221 0.86 KLKB1 (0.35) GRIA2KLKB1
SCHEMBL1835910 0.85
SCHEMBL1838061 0.85 SKP2 (0.36) GRIA2KLKB1
SCHEMBL1834306 0.81 CA1 (0.30)
SCHEMBL1832731 0.81 LMNA (0.38) KLKB1
SCHEMBL2161248 0.79 KLKB1 (0.37) GRIA2KLKB1
SCHEMBL1836900 0.79 SKP2 (0.35) GRIA2KLKB1
SCHEMBL1832743 0.74 LMNA (0.37) KLKB1
SCHEMBL2889517 0.73 KLKB1 (0.35) GRIA2KLKB1
SCHEMBL1836105 0.73 TGM2 (0.47)

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 4 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
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 HTR1A 3151/4885GRIA2 3485/4885KLKB1 4858/4885

“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.