SCHEMBL1827389

SCHEMBL1827389

Cc1cc(-n2c(C(F)(F)C(F)(F)F)nnc2C(F)(F)C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
MAPT P10636 3/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AR P10275 2/20 0.38
SIRT6 Q8N6T7 1/20 0.38
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
AMY1A P0DUB6 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL1837878 0.78 HPGD (0.42) HPGDMAPTTSHRLMNASMN1; SMN2
SCHEMBL2889570 0.76 HPGD (0.46) HPGDMAPTTSHRLMNASMN1; SMN2
SCHEMBL1833528 0.76 KDM4E (0.53) HPGDMAPTTSHRLMNASMN1; SMN2
SCHEMBL1837562 0.75 HPGD (0.45) HPGDMAPTTSHRLMNASMN1; SMN2
SCHEMBL2161267 0.75 HPGD (0.42) HPGDMAPTTSHRLMNASMN1; SMN2
SCHEMBL2889347 0.74 HPGD (0.44) HPGDMAPTTSHRLMNASMN1; SMN2
SCHEMBL2888027 0.74 KMT2A (0.43) HPGDMAPTTSHRLMNASMN1; SMN2
SCHEMBL2891803 0.74 HPGD (0.43) HPGDMAPTTSHRLMNASMN1; SMN2
SCHEMBL2161334 0.74 HPGD (0.43) HPGDMAPTTSHRLMNASMN1; SMN2
SCHEMBL2161589 0.70 HPGD (0.45) HPGDMAPTTSHRLMNASMN1; 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 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 HPGD 2921/4885MAPT 4079/4885TSHR 2047/4885

“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.