SCHEMBL4187871

SCHEMBL4187871

CNc1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 6/20 0.44
KCNK9 Q9NPC2 5/20 0.44
ABL1 P00519 1/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
BRAF P15056 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RX1 P51575 1/20 0.37
SCN9A Q15858 1/20 0.37
RHOC P08134 1/20 0.36
RHOA P61586 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
SCHEMBL4175364 0.90 KCNK3 (0.49) KCNK3KCNK9ABL1MAPTRAB9A
SCHEMBL22402135 0.88 MAPT (0.51) KCNK3KCNK9MAPTRAB9ANPC1
SCHEMBL20846962 0.87 KCNK3 (0.47) KCNK3KCNK9ABL1MAPTRAB9A
SCHEMBL13875607 0.86 KCNK3 (0.51) KCNK3KCNK9ABL1MAPTRAB9A
SCHEMBL20846961 0.86 RHOC (0.49) KCNK3KCNK9ABL1MAPTRAB9A
SCHEMBL20846721 0.84 RXFP1 (0.46) KCNK3KCNK9ABL1MAPTRAB9A
SCHEMBL22402134 0.83 RXFP1 (0.47) KCNK3KCNK9MAPTRAB9ANPC1
SCHEMBL4175359 0.82 MAPT (0.39) KCNK3KCNK9MAPTRAB9ANPC1
SCHEMBL4187879 0.81 MAPT (0.38) KCNK3KCNK9MAPTRAB9ANPC1
SCHEMBL19240157 0.80 MEN1 (0.48) KCNK3KCNK9MAPTRAB9ANPC1

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 KCNK3 504/4885KCNK9 954/4885ABL1 700/4885

“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.