SCHEMBL406940

SCHEMBL406940

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(Cl)c1NC(=O)c1cccc(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
GAA P10253 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
CYP2C9 P11712 2/20 0.41
BRAF P15056 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL1843940 0.92 PTGS1 (0.56) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL19240497 0.86 PTGS1 (0.54) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL404470 0.86 PTGS1 (0.51) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL408006 0.85 KDM4E (0.62) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL4182215 0.84 PTGS1 (0.47) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL4191849 0.84 PTGS1 (0.47) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL2007524 0.84 PTGS1 (0.49) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL2008830 0.81 ALDH1A1 (0.70) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL19240527 0.81 PTGS1 (0.51) PTGS1SMN1; SMN2NPSR1HSD17B10KDM4E
SCHEMBL3028431 0.81 PTGS1 (0.46) 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-8541473-B2 3-aminoxalyl-aminobenzamide derivatives and insecticidal and miticidal agents containing same as active ingredient AGRO-KANESHO CO., LTD. (JP) 2013-09-24 US disclosed
US-20120022263-A1 3-AMINOXALYL-AMINOBENZAMIDE DERIVATIVES AND INSECTICIDAL AND MITICIDAL AGENTS CONTAINING SAME AS ACTIVE INGREDIENT AGRO-KANESHO CO., LTD. (JP) 2012-01-26 US 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-20120022263-A1 3-AMINOXALYL-AMINOBENZAMIDE DERIVATIVES AND INSECTICIDAL AND MITICIDAL AGENTS CONTAINING SAME AS ACTIVE INGREDIENT HDHD5, CBR3, BAK1 PTGS1 3471/4885SMN1; SMN2 4489/4885NPSR1 3206/4885

“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.