SCHEMBL1845208

SCHEMBL1845208

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1N(C)C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.46
ATM Q13315 1/20 0.45
TSHR P16473 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL13508347 0.92 ALDH1A1 (0.43) ALDH1A1CES2CES1MAPTHTT
SCHEMBL1766981 0.85 ALDH1A1 (0.41) ALDH1A1CES2CES1MAPTHTT
SCHEMBL15429580 0.82 HPGD (0.47) MAPTHTTRAB9AKMT2AMEN1
SCHEMBL1843470 0.81 TSHR (0.43) ALDH1A1CES2CES1MAPTHTT
SCHEMBL29409942 0.81 NR1H3 (0.54) RAB9ATP53KMT2ASMN1; SMN2GPBAR1
SCHEMBL1844491 0.80 PTGS1 (0.44) ALDH1A1MAPTKMT2AMEN1GPBAR1
SCHEMBL1842685 0.79 ALDH1A1 (0.57) ALDH1A1MAPTHTTRAB9AKMT2A
SCHEMBL1362476 0.79 ALDH1A1 (0.41) ALDH1A1CES2CES1MAPTHTT
SCHEMBL12659386 0.78 GPBAR1 (0.40) GPBAR1
SCHEMBL19240535 0.78 GPBAR1 (0.38) ALDH1A1MAPTHTTRAB9ATP53

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3205642-B1 ANILINE INTERMEDIATE FOR THE PREPARATION OF AN AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE. MITSUI CHEMICALS AGRO INC (JP) 2022-03-23 EP disclosed
EP-2325165-B1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD MITSUI CHEMICALS AGRO INC (JP) 2020-02-19 EP disclosed
EP-3205642-A2 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD Mitsui Chemicals Agro, Inc. (JP) 2017-08-16 EP disclosed
US-9084420-B2 Amide derivative, pest control agent containing the amide derivative, and pest controlling method MITSUI CHEMICALS AGRO, INC. (JP) 2015-07-21 US disclosed
US-9084420-B2 Amide derivative, pest control agent containing the amide derivative, and pest controlling method MITSUI CHEMICALS AGRO, INC. (JP) 2015-07-21 US disclosed
US-20140107368-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD MITSUI CHEMICALS AGRO, INC. (JP) 2014-04-17 US disclosed
US-20140107368-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD MITSUI CHEMICALS AGRO, INC. (JP) 2014-04-17 US disclosed
US-8633228-B2 Amide derivative, pest control agent containing the amide derivative, and pest controlling method MITSUI CHEMICALS AGRO, INC. (JP) 2014-01-21 US disclosed
US-8633228-B2 Amide derivative, pest control agent containing the amide derivative, and pest controlling method MITSUI CHEMICALS AGRO, INC. (JP) 2014-01-21 US disclosed
CN-102112437-A Amide derivative, pest control agent containing same, and pest control method MITSUI CHEMICALS AGRO INC 2011-06-29 CN disclosed
US-20110136878-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD Mitsui Chemicals Agro., Inc. (JP) 2011-06-09 US disclosed
US-20110136878-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD Mitsui Chemicals Agro., Inc. (JP) 2011-06-09 US disclosed
EP-2325165-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD Mitsui Chemicals Agro, Inc. (JP) 2011-05-25 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 (2 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-20110136878-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD L3MBTL1, L3MBTL4, L3MBTL3 ALDH1A1 1837/4885CES2 2257/4885CES1 1121/4885
US-20140107368-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND PEST CONTROLLING METHOD L3MBTL1, L3MBTL4, L3MBTL3 ALDH1A1 1837/4885CES2 2257/4885CES1 1121/4885

“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.