SCHEMBL1830982

SCHEMBL1830982

CCOC(=O)C(c1ccc([N+](=O)[O-])cc1)n1nc(C(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 4/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
NPC1 O15118 1/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
AR P10275 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
SCHEMBL1834907 0.86 MAPT (0.36) MAPTLMNAL3MBTL1HTTALDH1A1
SCHEMBL1832263 0.79 MAPT (0.43) MAPTLMNAKDM4EL3MBTL1HTT
SCHEMBL30946858 0.69 NOS1 (0.49) MAPTLMNAKDM4EL3MBTL1HTT
SCHEMBL1857441 0.69 MAPT (0.54) MAPTLMNAKDM4EL3MBTL1HTT
SCHEMBL27652798 0.69 MAPT (0.54) MAPTLMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL4279296 0.69 MAPT (0.57) MAPTLMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL10771702 0.69 MAPT (0.57) MAPTLMNAKDM4EL3MBTL1HTT
SCHEMBL7441269 0.69 ALDH1A1 (0.52) MAPTLMNAKDM4EL3MBTL1HTT
SCHEMBL4136472 0.67 ALDH1A1 (0.58) MAPTLMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL4053767 0.67 MAPT (0.56) 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.