SCHEMBL1834597

SCHEMBL1834597

Cc1cc(Cn2cc(C(=O)NC(C)C)c(C(F)(F)F)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.49
KLK1 P06870 2/20 0.49

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
SCHEMBL1833795 0.87 KLKB1 (0.51) KLKB1KLK1
SCHEMBL1831458 0.86 KLKB1 (0.45) KLKB1KLK1
Hydrochloric Acid SCHEMBL1833365 0.85 KLKB1 (0.44) KLKB1KLK1
SCHEMBL1833364 0.85 KLKB1 (0.46) KLKB1KLK1
SCHEMBL1831916 0.85 KLKB1 (0.45) KLKB1KLK1
SCHEMBL1832027 0.85 GRM2 (0.52) KLKB1KLK1
SCHEMBL1838410 0.84 P2RX1 (0.50) KLKB1KLK1
SCHEMBL1843900 0.84 KLKB1 (0.54) KLKB1KLK1
SCHEMBL13335219 0.81 KLKB1 (0.38) KLKB1KLK1
SCHEMBL1835510 0.80 PTGDR2 (0.45) KLKB1KLK1

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
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

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 KLKB1 4858/4885KLK1 4844/4885

“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.