SCHEMBL1831007

SCHEMBL1831007

Cc1cc(Cn2nc(C(F)(F)C(F)(F)F)cc2SC(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
BLM P54132 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31

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
SCHEMBL1834957 0.92 HDAC3 (0.38) MAPTNR3C1PGRARHPGD
SCHEMBL1834827 0.88 MAPT (0.31) MAPTNR3C1PGRARHPGD
SCHEMBL1834567 0.84 TSHR (0.36) MAPTNR3C1PGRARHPGD
SCHEMBL1831517 0.84 TSHR (0.36) MAPTNR3C1PGRARHPGD
SCHEMBL12402594 0.82 HDAC3 (0.39) MAPTNR3C1PGRARHPGD
SCHEMBL1832434 0.81 ADORA3 (0.33)
SCHEMBL1836303 0.80 ALDH1A1 (0.34) MAPTNR3C1PGRARHPGD
SCHEMBL2888067 0.77 LMNA (0.38) MAPTNR3C1PGRARHPGD
SCHEMBL12402263 0.77 HPGD (0.42) MAPTHPGDTSHRL3MBTL1LMNA
SCHEMBL2161294 0.76 ALDH1A1 (0.35) MAPTNR3C1PGRARHPGD

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 4 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

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 MAPT 4079/4885NR3C1 4682/4885PGR 4475/4885

“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.