SCHEMBL1835376

SCHEMBL1835376

Nc1ccc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.46
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
ADORA2A P29274 1/20 0.40
PTGS2 P35354 3/20 0.36
PTGS1 P23219 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL24041760 0.84 HDAC3 (0.54) GRIA2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2893841 0.84 GRIA2 (0.45) GRIA2KDM4EL3MBTL1HDAC3HDAC4
SCHEMBL12402156 0.83 HPGD (0.50) KDM4EL3MBTL1HDAC3HDAC4HDAC1
SCHEMBL2889780 0.82 GRIA2 (0.46) GRIA2KDM4EL3MBTL1HDAC3HDAC4
SCHEMBL2161537 0.82 GRIA2 (0.40) GRIA2KDM4EL3MBTL1HDAC3HDAC4
SCHEMBL1831039 0.81 GRIA2 (0.47) GRIA2KDM4EL3MBTL1HDAC3HDAC4
SCHEMBL2161186 0.81 GRIA2 (0.45) GRIA2KDM4EL3MBTL1HDAC3HDAC4
SCHEMBL2900104 0.81 GRIA2 (0.44) GRIA2KDM4EL3MBTL1HDAC3HDAC4
SCHEMBL1834036 0.79 GRIA2 (0.43) GRIA2KDM4EL3MBTL1HDAC3HDAC4
SCHEMBL1833504 0.79 PTGS1 (0.46) GRIA2HDAC3HDAC4HDAC1HDAC7

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 GRIA2 3485/4885KDM4E 346/4885L3MBTL1 217/4885

“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.