SCHEMBL20031599

SCHEMBL20031599

CC(=O)c1ccc(Oc2ccc(C(F)(F)F)nc2)nc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 10/20 0.42
SCN8A Q9UQD0 7/20 0.42
SCN9A Q15858 11/20 0.41
FPR2 P25090 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL20031567 0.85 SCN9A (0.41) SCN10ASCN8ASCN9AMRGPRX4
SCHEMBL20031600 0.85 SCN9A (0.41) SCN10ASCN8ASCN9A
SCHEMBL22069448 0.80 MAOB (0.40) LMNA
SCHEMBL18529453 0.80 LIPE (0.44) SCN10ASCN8ALMNA
SCHEMBL21678317 0.78 HRH3 (0.38) LMNA
SCHEMBL20031119 0.78 SCN9A (0.37) SCN10ASCN9A
SCHEMBL4188205 0.75 LMNA (0.46) LMNA
SCHEMBL19524238 0.74 SCN8A (0.67) SCN10ASCN8ASCN9AMRGPRX4
SCHEMBL20476815 0.73 SCN9A (0.35) SCN10ASCN8ASCN9AFPR2MRGPRX4
SCHEMBL21678309 0.73 LIPE (0.34) SCN9ALMNA

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-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2020-01-30 US disclosed
US-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2020-01-30 US disclosed
WO-2018060088-A1 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES AS FUNGICIIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO 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-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES PIP5K1B, PIP5K1A, PIP5K1C SCN10A 4727/4885SCN8A 4401/4885SCN9A 4361/4885

“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.