SCHEMBL4189764

SCHEMBL4189764

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KCNJ11 Q14654 9/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABCC9 O60706 4/20 0.38
ABCC8 Q09428 4/20 0.38
KCNJ8 Q15842 4/20 0.38
KDM4C Q9H3R0 1/20 0.38
BTK Q06187 2/20 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 0.91 PTGS1 (0.47) PTGS1KDM4EALDH1A1KCNJ11SMN1; SMN2
SCHEMBL13875637 0.85 PTGS1 (0.50) PTGS1KDM4EALDH1A1KCNJ11SMN1; SMN2
SCHEMBL4187861 0.84 ABCC9 (0.55) ALDH1A1KCNJ11SMN1; SMN2ABCC9ABCC8
SCHEMBL13875597 0.84 KDM4E (0.48) PTGS1KDM4EALDH1A1KCNJ11SMN1; SMN2
SCHEMBL4191848 0.83 PTGS1 (0.46) PTGS1KDM4EALDH1A1KCNJ11SMN1; SMN2
SCHEMBL4178309 0.82 PTGS1 (0.45) PTGS1KDM4EALDH1A1KCNJ11SMN1; SMN2
SCHEMBL4185237 0.81 MEN1 (0.49) KCNJ11SMN1; SMN2
SCHEMBL1820825 0.79 PTGS1 (0.55) PTGS1KDM4EALDH1A1KCNJ11SMN1; SMN2
SCHEMBL13875599 0.78 KDM4E (0.46) PTGS1KDM4EALDH1A1KCNJ11SMN1; SMN2
SCHEMBL4182215 0.78 PTGS1 (0.47) PTGS1KDM4EALDH1A1KCNJ11SMN1; SMN2

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-20090099204-A1 Amide derivative, insecticide containing the same and method for application thereof as insecticide MITSUI CHEMICALS, INC. (JP) 2009-04-16 US disclosed
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 1316/4885KDM4E 1117/4885ALDH1A1 76/4885

“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.