SCHEMBL1834907

SCHEMBL1834907

CCOC(=O)C(c1ccc([N+](=O)[O-])c(C)c1)n1nc(C(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
POLB P06746 2/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 5/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.33
LMNA P02545 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL1830982 0.86 MAPT (0.43) MAPTSMN1; SMN2GAAALDH1A1HTT
SCHEMBL12402804 0.82 MAPT (0.37) MAPTSMN1; SMN2POLBKMT2AMEN1
SCHEMBL1835101 0.82 SMN1; SMN2 (0.36) MAPTSMN1; SMN2POLBKMT2AMEN1
SCHEMBL13361965 0.75 POLB (0.33) MAPTSMN1; SMN2POLBGAAALDH1A1
SCHEMBL13361966 0.75 POLB (0.33) MAPTSMN1; SMN2POLBKMT2AMEN1
SCHEMBL3726022 0.71 TSHR (0.49) MAPTSMN1; SMN2POLBKMT2AMEN1
SCHEMBL2527072 0.70 TSHR (0.48) MAPTSMN1; SMN2POLBKMT2AGAA
SCHEMBL2161589 0.70 HPGD (0.45) MAPTSMN1; SMN2POLBKMT2AMEN1
SCHEMBL1831264 0.70 DCTPP1 (0.36) MAPTPOLBKMT2AMEN1GAA
SCHEMBL1836227 0.69 NPC1 (0.40) MAPTSMN1; SMN2POLBKMT2AMEN1

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 MAPT 4079/4885SMN1; SMN2 3421/4885POLB 4574/4885

“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.