SCHEMBL1833353

SCHEMBL1833353

Cc1c(Cn2nc(C(F)(F)C(F)(F)F)cc2C(F)(F)C(F)(F)F)cccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
OPRK1 P41145 2/20 0.34
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNB3 P54284 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNG7 P62955 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1D Q01668 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
SCHEMBL1835146 0.86 TDP1 (0.41) TDP1CYP1A2CYP2C19TSHRSMN1; SMN2
SCHEMBL1836181 0.78 GAA (0.32) CYP1A2CYP2C19ALDH1A1MAPTLMNA
SCHEMBL2161460 0.74 TDP1 (0.40) TDP1CYP1A2CYP2C19TSHRSMN1; SMN2
SCHEMBL12402736 0.74 TDP1 (0.42) TDP1CYP1A2CYP2C19TSHRSMN1; SMN2
SCHEMBL1834058 0.73 TDP1 (0.41) TDP1CYP1A2CYP2C19TSHRSMN1; SMN2
SCHEMBL1835902 0.72 CYP1A2 (0.37) CYP1A2CYP2C19TSHRALDH1A1MAPT
SCHEMBL1831615 0.71 MEN1 (0.35) TDP1CYP1A2CYP2C19TSHRSMN1; SMN2
SCHEMBL1831517 0.67 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL14641737 0.66 TDP1 (0.69) TDP1TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL1833493 0.65 KDM4E (0.44) CYP1A2CYP2C19TSHRSMN1; SMN2KMT2A

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 TDP1 4411/4885CYP1A2 168/4885CYP2C19 340/4885

“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.