SCHEMBL1832574

SCHEMBL1832574

Cc1cc(Cn2cc(C(F)(F)C(F)(F)F)c(C(F)(F)C(F)(F)F)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
KLKB1 P03952 5/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
KLK1 P06870 1/20 0.33
BLM P54132 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL2884044 0.94 HPGD (0.36) HPGDLMNAMAPTL3MBTL1KLKB1
SCHEMBL2889819 0.94 KLKB1 (0.36) TSHRHPGDMAPTKLKB1KLK1
SCHEMBL1831113 0.88 LMNA (0.35) TSHRHPGDLMNAMAPTL3MBTL1
SCHEMBL1835796 0.87 TSHR (0.41) TSHRHPGDLMNAL3MBTL1KLKB1
SCHEMBL2887566 0.87 KLKB1 (0.35) HPGDMAPTKLKB1KLK1
SCHEMBL2889773 0.86 KLKB1 (0.36) HPGDKLKB1KLK1
Hydrochloric Acid SCHEMBL1833166 0.86 TSHR (0.41) TSHRHPGDLMNAL3MBTL1KLKB1
SCHEMBL13335219 0.85 KLKB1 (0.38) TSHRHPGDLMNAMAPTKLKB1
SCHEMBL1833163 0.84 KLKB1 (0.41) TSHRHPGDLMNAL3MBTL1KLKB1
SCHEMBL2889777 0.83 KLKB1 (0.35) HPGDMAPTKLKB1KLK1

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 TSHR 2047/4885HPGD 2921/4885LMNA 1928/4885

“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.