SCHEMBL1830636

SCHEMBL1830636

O=[N+]([O-])c1ccc(Cn2nc(C(F)(F)F)nc2C(F)(F)F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HIF1A Q16665 1/20 0.35
PTGS1 P23219 1/20 0.35
MAPK1 P28482 1/20 0.35
S1PR4 O95977 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
SLC29A1 Q99808 1/20 0.33
GLS O94925 1/20 0.33

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
SCHEMBL1832955 0.81 KMT2A (0.44) CYP1A2CYP2C19ALDH1A1KMT2ALMNA
SCHEMBL2161055 0.79 ADRA2B (0.39) NR1H2NR1H3
SCHEMBL1837840 0.77 PTGS1 (0.43) CYP1A2CYP2C19CNR1ACHECNR2
SCHEMBL1829623 0.77 CYP1A2 (0.35) CYP1A2CYP2C19ALDH1A1KMT2ALMNA
SCHEMBL1830970 0.75 TSHR (0.39) CYP1A2CYP2C19ACHEALDH1A1MAPK1
SCHEMBL1834058 0.73 TDP1 (0.41) CYP1A2CYP2C19ALDH1A1LMNAPOLB
SCHEMBL27938551 0.72 LMNA (0.49) CYP1A2CYP2C19ALDH1A1HIF1AS1PR4
SCHEMBL1831138 0.72 ALDH1A1 (0.36) CYP1A2CYP2C19CNR1ACHECNR2
SCHEMBL1831264 0.71 DCTPP1 (0.36) ALDH1A1KMT2ALMNAPOLBMAPT
SCHEMBL2162207 0.70 ALDH1A1 (0.36) CYP1A2ALDH1A1HIF1AKMT2ANR1H2

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 5 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
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 CYP1A2 168/4885CYP2C19 340/4885CNR1 91/4885

“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.