SCHEMBL1830879

SCHEMBL1830879

Cc1cc(Cn2nc(C(F)(F)F)nc2C(F)(F)F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 2/20 0.32
DCTPP1 Q9H773 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 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
SCHEMBL1833081 0.91 CYP1A2 (0.37) CYP1A2CYP2C19ALDH1A1MEN1HTT
SCHEMBL12402553 0.90 CYP1A2 (0.38) CYP1A2CYP2C19ALDH1A1MEN1HTT
SCHEMBL2162207 0.81 ALDH1A1 (0.36) CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL12402554 0.81 CYP1A2 (0.38) CYP1A2CYP2C19ALDH1A1MEN1HTT
SCHEMBL1831264 0.81 DCTPP1 (0.36) ALDH1A1MEN1HTTKMT2AMAPT
SCHEMBL1830970 0.81 TSHR (0.39) CYP1A2CYP2C19ALDH1A1MEN1HTT
SCHEMBL1829623 0.80 CYP1A2 (0.35) CYP1A2CYP2C19ALDH1A1MEN1HTT
SCHEMBL1832592 0.80 ALDH1A1 (0.36) CYP1A2CYP2C19ALDH1A1MEN1HTT
SCHEMBL1830636 0.79 CYP1A2 (0.39) CYP1A2CYP2C19ALDH1A1KMT2AMAPT
SCHEMBL1834058 0.78 TDP1 (0.41) CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2

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 CYP1A2 168/4885CYP2C19 340/4885ALDH1A1 928/4885

“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.