SCHEMBL1362476

SCHEMBL1362476

CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ATM Q13315 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL1361030 0.83 PTGS1 (0.40) GPBAR1
SCHEMBL1360986 0.79 NPC1 (0.50) ALDH1A1MAPTRAB9AHTTKMT2A
SCHEMBL1845208 0.79 ALDH1A1 (0.48) ALDH1A1MAPTRAB9AHTTCES2
SCHEMBL1766497 0.76 ATM (0.42) ALDH1A1MAPTRAB9AHTTCES2
SCHEMBL1362273 0.75 KMT2A (0.48) ALDH1A1MAPTRAB9AKMT2AMEN1
SCHEMBL13508347 0.74 ALDH1A1 (0.43) ALDH1A1MAPTRAB9AHTTCES2
SCHEMBL1766981 0.72 ALDH1A1 (0.41) ALDH1A1MAPTRAB9AHTTCES2
SCHEMBL1766577 0.69 ATM (0.39) ALDH1A1MAPTHTTATMKMT2A
SCHEMBL3347418 0.68 ALDH1A1 (0.67) ALDH1A1MAPTRAB9AHTTCES2
SCHEMBL30568852 0.68 ALDH1A1 (0.67) ALDH1A1MAPTRAB9AHTTCES2

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 ALDH1A1 427/4885MAPT 4259/4885RAB9A 1871/4885

“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.