SCHEMBL1833706

SCHEMBL1833706

Cc1cc(Cn2cc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C(F)(F)C(F)(F)F)n2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.45
KLKB1 P03952 8/20 0.44
KLK1 P06870 2/20 0.44
JUN P05412 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
TMPRSS4 Q9NRS4 1/20 0.43
LCK P06239 1/20 0.42
KDR P35968 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MAPT P10636 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
XPO1 O14980 1/20 0.40
IKBKB O14920 1/20 0.40

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
SCHEMBL1834168 0.94 KLKB1 (0.49) P2RX1KLKB1KLK1JUNNFKB1
SCHEMBL1832795 0.94 PTGDR2 (0.45) KLKB1KLK1NR1H4PTGDR2
SCHEMBL1837274 0.92 LCK (0.50) LCKKDRNR1H4MAPTPTGDR2
SCHEMBL1831746 0.91 KLKB1 (0.48) KLKB1KLK1NR1H4PTGDR2
SCHEMBL2161268 0.89 KLKB1 (0.44) KLKB1KLK1NR1H4PTGDR2
SCHEMBL2161265 0.88 KLKB1 (0.44) KLKB1KLK1TMPRSS4NR1H4PTGDR2
SCHEMBL2161320 0.88 LMNA (0.52) KLKB1KLK1MAPTPTGDR2
SCHEMBL1833717 0.86 KLKB1 (0.45) KLKB1KLK1KDRNR1H4
SCHEMBL1834128 0.86 P2RX1 (0.48) P2RX1KLKB1KLK1JUNNFKB1
SCHEMBL2161860 0.83 KLKB1 (0.48) 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 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 P2RX1 540/4885KLKB1 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.