SCHEMBL1829077

SCHEMBL1829077

Cc1c(N)cccc1Cn1cc(-c2ccc(C(F)(F)F)cc2)c(C(F)(F)C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.35
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
TLR8 Q9NR97 1/20 0.33
SLC2A1 P11166 1/20 0.33
KCNH2 Q12809 3/20 0.33
CMA1 P23946 2/20 0.32
ESR1 P03372 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
JAK3 P52333 1/20 0.31
PTK2 Q05397 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
PPARD Q03181 3/20 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
SCHEMBL1833233 0.80 ESR1 (0.36) CYP3A4MAPTKCNH2ESR1
SCHEMBL1831293 0.79 ESR1 (0.35) CYP3A4KCNH2ESR1
SCHEMBL1833879 0.77 SIGMAR1 (0.36) JAK2MAPTTLR8SLC2A1KCNH2
SCHEMBL1828499 0.73 SMN1; SMN2 (0.53) NPC1MAPTRAB9A
SCHEMBL2161054 0.71 RORC (0.41) JAK2CYP2C19TLR8KCNH2
SCHEMBL5647970 0.70 KIF11 (0.47) JAK2NPC1CYP1A2CYP3A4MAPT
SCHEMBL2161666 0.70 HSP90AA1 (0.34) KCNH2
SCHEMBL1832926 0.66 NR1H3 (0.40) MAPTKCNH2ESR1NR1H2NR1H3
SCHEMBL12859295 0.66 KCNH2 (0.38) JAK2TLR8KCNH2JAK3PTK2
SCHEMBL1831398 0.65 ESR1 (0.35) CYP3A4KCNH2ESR1

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 JAK2 3808/4885NPC1 2992/4885CYP1A2 168/4885

“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.