SCHEMBL1832795

SCHEMBL1832795

Cc1cc(Cn2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(C(F)(F)C(F)(F)F)n2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.45
KLKB1 P03952 8/20 0.45
KLK1 P06870 2/20 0.45
PTGS1 P23219 1/20 0.44
KIT P10721 1/20 0.43
NR3C1 P04150 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
NR1H4 Q96RI1 2/20 0.42

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
SCHEMBL1833706 0.94 P2RX1 (0.45) PTGDR2KLKB1KLK1NR1H4
SCHEMBL1831746 0.93 KLKB1 (0.48) PTGDR2KLKB1KLK1LMNAPOLB
SCHEMBL2161268 0.91 KLKB1 (0.44) PTGDR2KLKB1KLK1LMNAPOLB
SCHEMBL1837274 0.91 LCK (0.50) PTGDR2PTGS1KITLMNANR1H4
SCHEMBL2161320 0.91 LMNA (0.52) PTGDR2KLKB1KLK1NR3C1LMNA
SCHEMBL1833717 0.89 KLKB1 (0.45) KLKB1KLK1LMNANR1H4
SCHEMBL2161265 0.89 KLKB1 (0.44) PTGDR2KLKB1KLK1LMNAPOLB
SCHEMBL1834168 0.88 KLKB1 (0.49) KLKB1KLK1
SCHEMBL1835510 0.85 PTGDR2 (0.45) PTGDR2KLKB1KLK1NR3C1LMNA
SCHEMBL2161860 0.84 KLKB1 (0.48) KLKB1KLK1LMNAPOLB

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 3 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

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 PTGDR2 2550/4885KLKB1 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.