SCHEMBL1834390

SCHEMBL1834390

CCSc1nc(C(F)(F)F)nn1Cc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
HTT P42858 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP19A1 P11511 1/20 0.34
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 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
SCHEMBL1831264 0.84 DCTPP1 (0.36) HPGDHTTKMT2AMEN1LMNA
SCHEMBL1832049 0.81 SKP2 (0.36) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL1833115 0.81 HPGD (0.34) HPGDHTTKMT2AMEN1LMNA
SCHEMBL1833080 0.81 HPGD (0.34) HPGDHTTKMT2AMEN1LMNA
SCHEMBL1832339 0.81 HPGD (0.36) HPGDHTTKMT2ALMNASMN1; SMN2
SCHEMBL1834046 0.81 HPGD (0.34) HPGDHTTKMT2AMEN1LMNA
SCHEMBL12402756 0.79 HTT (0.33) HPGDHTTKMT2AMEN1LMNA
SCHEMBL1831823 0.79 LMNA (0.41) HPGDHTTKMT2AMEN1LMNA
SCHEMBL1837265 0.78 KMT2A (0.39) HPGDKMT2AMEN1LMNASMN1; SMN2
SCHEMBL2161957 0.78 ADORA2A (0.38) KMT2AMEN1ALDH1A1MAPT

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
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 HPGD 2921/4885HTT 3414/4885KMT2A 657/4885

“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.