SCHEMBL1359778

SCHEMBL1359778

Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.57
HSP90AB1 P08238 3/20 0.57
IDO1 P14902 1/20 0.57
PSMB5 P28074 1/20 0.57
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
NR4A2 P43354 1/20 0.41
MMP14 P50281 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL16905239 0.86 HSP90AA1 (0.56) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL30553428 0.76 MEN1 (0.54) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL11972820 0.76 MEN1 (0.54) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL29661959 0.76 HSP90AA1 (0.70) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL7455899 0.76 HSP90AA1 (0.70) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL1360928 0.75 MEN1 (0.43) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL3027362 0.73 HSP90AA1 (0.61) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL688655 0.73 HSP90AA1 (1.00) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL29721839 0.73 HSP90AA1 (1.00) HSP90AA1HSP90AB1IDO1PSMB5MEN1
SCHEMBL30604782 0.72 NR4A2 (0.56) HSP90AA1HSP90AB1IDO1PSMB5MEN1

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-8067638-B2 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2011-11-29 US disclosed
US-20090233962-A1 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 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-20090233962-A1 Amide derivative and insecticide containing the same CYP1A1, CYP4B1, CYP2E1 HSP90AA1 951/4885HSP90AB1 1214/4885IDO1 992/4885

“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.