SCHEMBL1837562

SCHEMBL1837562

Cc1cc(-n2ccc(C(F)(F)C(F)(F)F)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.41
AR P10275 5/20 0.41
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.37
TSHR P16473 2/20 0.37
SIRT6 Q8N6T7 1/20 0.36
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL1836548 0.90 HPGD (0.47) HPGDHTTARMAPTNPC1
SCHEMBL2891803 0.78 HPGD (0.43) HPGDARMAPTTSHRSIRT6
SCHEMBL2161334 0.78 HPGD (0.43) HPGDARMAPTNPC1TSHR
SCHEMBL2884387 0.78 MAPT (0.39) HPGDHTTMAPTNPC1TSHR
SCHEMBL2888067 0.77 LMNA (0.38) HPGDARMAPTTSHRGAA
SCHEMBL2889347 0.77 HPGD (0.44) HPGDARMAPTTSHRSIRT6
SCHEMBL1827389 0.75 HPGD (0.48) HPGDHTTARMAPTTSHR
SCHEMBL3480556 0.74 MAPT (0.44) HPGDHTTARMAPTNPC1
SCHEMBL2889570 0.73 HPGD (0.46) HPGDARMAPTTSHRSIRT6
SCHEMBL1837878 0.72 HPGD (0.42) HPGDHTTARMAPTNPC1

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 2921/4885HTT 3414/4885AR 3313/4885

“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.