SCHEMBL4182215

SCHEMBL4182215

Nc1cccc(C(=O)Nc2c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2SC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
BTK Q06187 3/20 0.37
ULK1 O75385 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 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
SCHEMBL4181081 0.87 PTGS1 (0.47) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL13875601 0.85 SMN1; SMN2 (0.49) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL406940 0.84 PTGS1 (0.51) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL4191849 0.81 PTGS1 (0.47) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL4191848 0.80 PTGS1 (0.46) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL4178309 0.78 PTGS1 (0.45) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL1843940 0.78 PTGS1 (0.56) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL4189764 0.78 PTGS1 (0.46) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL15242247 0.77 PTGS1 (0.55) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL997992 0.77 KCNJ11 (0.38) NPSR1MEN1MAPTKMT2ATAS1R3

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 PTGS1 1316/4885SMN1; SMN2 3879/4885NPSR1 3300/4885

“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.