SCHEMBL20031567

SCHEMBL20031567

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.41
SCN10A Q9Y5Y9 5/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
SCN8A Q9UQD0 2/20 0.38
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 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
SCHEMBL20031599 0.85 SCN10A (0.42) SCN9ASCN10AMRGPRX4SCN8A
SCHEMBL20031119 0.80 SCN9A (0.37) SCN9ASCN10APLAAT3PLAAT5PLAAT2
SCHEMBL21678322 0.79 HRH3 (0.35)
SCHEMBL20031600 0.79 SCN9A (0.41) SCN9ASCN10ASCN8A
SCHEMBL21678318 0.76 SCN9A (0.33) SCN9ASCN10A
SCHEMBL20031569 0.74 SCN9A (0.33) SCN9ASCN10APLAAT3PLAAT5PLAAT2
Bromide SCHEMBL21632284 0.74 SCN9A (0.32) SCN9ASCN10APLAAT3PLAAT5PLAAT2
SCHEMBL18529456 0.71 ALDH1A1 (0.40)
SCHEMBL20476815 0.70 SCN9A (0.35) SCN9ASCN10AMRGPRX4SCN8A
SCHEMBL22069448 0.69 MAOB (0.40)

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-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 SCN9A 4361/4885SCN10A 4727/4885MRGPRX4 3797/4885

“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.