SCHEMBL4182929

SCHEMBL4182929

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1[S+]([O-])C(F)(F)F)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.48
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48
KCNJ8 Q15842 1/20 0.48
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
THRA P10827 1/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 5/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
PKM P14618 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
IRAK4 Q9NWZ3 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 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
SCHEMBL4177831 0.85 PTGS1 (0.46) KCNJ11KMT2AMEN1ALDH1A1MAPT
SCHEMBL1767250 0.84 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL289758 0.84 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL13875654 0.84 KMT2A (0.46) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL4180515 0.83 MEN1 (0.38) KCNJ11KMT2AMEN1MAPTPOLB
SCHEMBL13890567 0.83 THRA (0.45) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL4180513 0.82 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL1820368 0.79 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL1842685 0.79 ALDH1A1 (0.57) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL4185515 0.79 NR1H3 (0.39) KCNJ11KMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099204-A1 Amide derivative, insecticide containing the same and method for application thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2009-04-16 US disclosed
EP-1916236-A1 AMIDE DERIVATIVE, PESTICIDE CONTAINING SUCH COMPOUND AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2008-04-30 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-20090099204-A1 Amide derivative, insecticide containing the same and method for application thereof as insecticide CYP2E1, GSTA1, CYP2S1 ABCC9 264/4885ABCC8 435/4885KCNJ11 404/4885

“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.