SCHEMBL1832263

SCHEMBL1832263

CCOC(=O)C(c1ccc([N+](=O)[O-])cc1)n1nc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.39
PTGS1 P23219 1/20 0.38
POLB P06746 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 1/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
PTGS2 P35354 1/20 0.36

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
SCHEMBL1835101 0.87 SMN1; SMN2 (0.36) MAPTLMNAL3MBTL1ALDH1A1GAA
SCHEMBL12467329 0.82 KDM4E (0.33) MAPTLMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL1830982 0.79 MAPT (0.43) MAPTLMNAKDM4EL3MBTL1HTT
SCHEMBL12402804 0.78 MAPT (0.37) MAPTLMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL1643119 0.72 MAPT (0.42) MAPTLMNAKDM4EL3MBTL1AKR1C3
SCHEMBL12402806 0.72 KDM4E (0.36) MAPTLMNAKDM4EL3MBTL1HTT
SCHEMBL30946858 0.69 NOS1 (0.49) MAPTLMNAKDM4EL3MBTL1HTT
SCHEMBL2796935 0.69 MAPT (0.39) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL1857441 0.69 MAPT (0.54) MAPTLMNAKDM4EL3MBTL1HTT
SCHEMBL27652798 0.69 MAPT (0.54) MAPTLMNAKDM4EL3MBTL1ALDH1A1

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 4079/4885LMNA 1928/4885KDM4E 346/4885

“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.