SCHEMBL1829623

SCHEMBL1829623

Cc1c([N+](=O)[O-])ccc(Cn2nc(C(F)(F)F)nc2C(F)(F)F)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.32
DCTPP1 Q9H773 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1834058 0.85 TDP1 (0.41) CYP1A2CYP2C19LMNAGAADCTPP1
SCHEMBL1830970 0.83 TSHR (0.39) CYP1A2CYP2C19LMNAGAADCTPP1
SCHEMBL1834377 0.80 NR1H2 (0.30)
SCHEMBL1833081 0.80 CYP1A2 (0.37) CYP1A2CYP2C19LMNAGAADCTPP1
SCHEMBL1830879 0.80 CYP1A2 (0.37) CYP1A2CYP2C19LMNAGAADCTPP1
SCHEMBL1833241 0.79 DCTPP1 (0.35) LMNAGAADCTPP1MEN1HTT
SCHEMBL1832396 0.78 IDO1 (0.42) CYP1A2CYP2C19LMNADCTPP1MEN1
SCHEMBL1831264 0.78 DCTPP1 (0.36) LMNAGAADCTPP1MEN1HTT
SCHEMBL1835902 0.77 CYP1A2 (0.37) CYP1A2CYP2C19LMNAGAAALDH1A1
SCHEMBL1830636 0.77 CYP1A2 (0.39) CYP1A2CYP2C19LMNAKMT2AALDH1A1

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 340/4885LMNA 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.