SCHEMBL4191849

SCHEMBL4191849

Nc1cccc(C(=O)Nc2c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 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
MRGPRX4 Q96LA9 3/20 0.40
BRAF P15056 4/20 0.39
KDM4C Q9H3R0 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
ROCK2 O75116 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL4194451 0.85 MRGPRX4 (0.52) SMN1; SMN2TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL13875620 0.85 SMN1; SMN2 (0.49) PTGS1SMN1; SMN2NPSR1HSD17B10TAS1R3
SCHEMBL406940 0.84 PTGS1 (0.51) PTGS1SMN1; SMN2NPSR1HSD17B10TAS1R3
SCHEMBL4180259 0.84 ABCC9 (0.48) NPSR1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL4182215 0.81 PTGS1 (0.47) PTGS1SMN1; SMN2NPSR1HSD17B10TAS1R3
SCHEMBL1843940 0.78 PTGS1 (0.56) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL15242247 0.77 PTGS1 (0.55) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL13516036 0.77 DRD4 (0.40) TAS1R3TAS1R1TAS1R2MAPTMRGPRX4
SCHEMBL9894627 0.75 PTGS1 (0.51) PTGS1KDM4EMEN1MAPTKMT2A
SCHEMBL2008830 0.75 ALDH1A1 (0.70) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E

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.