SCHEMBL7716320

SCHEMBL7716320

O=C(Nc1c([N+](=O)[O-])cc(C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HRAS P01112 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL7716355 0.85 HRAS (0.36) MAPK1GAARXFP1HRASPDK1
SCHEMBL7716278 0.80 HRAS (0.36) MAPK1GAARXFP1HRASALDH1A1
SCHEMBL7713934 0.79 HRAS (0.38) MAPK1GAARXFP1HRASPDK1
SCHEMBL7716273 0.77 MAPK1 (0.49) MAPK1GAARXFP1HRASALDH1A1
SCHEMBL7713962 0.77 HRAS (0.36) MAPK1GAARXFP1HRASALDH1A1
SCHEMBL7710558 0.76 ALDH1A1 (0.51) MAPK1GAARXFP1HRASALDH1A1
SCHEMBL7713990 0.75 HRAS (0.37) MAPK1GAARXFP1HRASALDH1A1
SCHEMBL7713968 0.75 ALDH1A1 (0.46) MAPK1GAARXFP1HRASALDH1A1
SCHEMBL11849607 0.75 ALDH1A1 (0.53) MAPK1GAARXFP1HRASALDH1A1
SCHEMBL7710574 0.74 HRAS (0.36) MAPK1GAARXFP1HRASPDK1

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-6376710-B2 INSECTICIDES, NEMATODICIDES, MITICIDES SUMITOMO CHEMICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-20010041740-A1 Amidine compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-11-15 US disclosed
EP-1138668-A2 Amidine compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-10-04 EP 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-20010041740-A1 Amidine compounds and their use as pesticides DDT, CNR1, PRMT1 MAPK1 1433/4885GAA 4106/4885RXFP1 140/4885

“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.