SCHEMBL1832592

SCHEMBL1832592

Cc1cc(Cn2nc(C(F)(F)F)nc2C(F)(F)F)ncc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
DCTPP1 Q9H773 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL12402719 0.90 ALDH1A1 (0.37) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL1831264 0.81 DCTPP1 (0.36) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL1832113 0.80 UHRF1 (0.35) MEN1HTTKMT2A
SCHEMBL1830879 0.80 CYP1A2 (0.37) ALDH1A1CYP1A2MAPTCYP2C19MEN1
SCHEMBL1833241 0.79 DCTPP1 (0.35) ALDH1A1MEN1HTTKMT2AGAA
SCHEMBL12402714 0.79 LMNA (0.39) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL1847214 0.78 ALDH1A1 (0.37) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL1833081 0.77 CYP1A2 (0.37) ALDH1A1CYP1A2MAPTCYP2C19MEN1
SCHEMBL1186762 0.76 GAA (0.35) ALDH1A1MEN1HTTKMT2AGAA
SCHEMBL1830970 0.76 TSHR (0.39) ALDH1A1CYP1A2CYP2C19MEN1HTT

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 ALDH1A1 928/4885CYP1A2 168/4885MAPT 4079/4885

“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.