SCHEMBL21629482

SCHEMBL21629482

[2H]C([2H])([2H])C(c1cc(C(F)(F)F)c([N+](=O)[O-])cc1OCc1ccccc1)(C([2H])([2H])[2H])C([2H])([2H])[2H]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP19A1 P11511 6/20 0.42
POLB P06746 1/20 0.40
PTGES O14684 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL394870 0.92 MEN1 (0.47) MEN1MAPTKMT2ACYP19A1POLB
SCHEMBL2970281 0.80 PTGES (0.55) MEN1MAPTKMT2ACYP19A1POLB
SCHEMBL5485326 0.78 MEN1 (0.41) MEN1MAPTKMT2ACYP19A1POLB
SCHEMBL27592053 0.77 MEN1 (0.46) MEN1MAPTKMT2ACYP19A1POLB
SCHEMBL394925 0.76 MEN1 (0.48) MEN1MAPTKMT2ACYP19A1POLB
SCHEMBL2570775 0.76 POLB (0.43) MEN1MAPTKMT2ACYP19A1POLB
SCHEMBL544327 0.75 MEN1 (0.59) MEN1MAPTKMT2ACYP19A1CYP11B1
SCHEMBL2013356 0.75 POLB (0.43) MEN1MAPTKMT2ACYP19A1POLB
SCHEMBL2876196 0.74 MEN1 (0.61) MEN1MAPTKMT2ACYP19A1PTGES
SCHEMBL30354835 0.74 MEN1 (0.61) MEN1MAPTKMT2ACYP19A1PTGES

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-10759721-B2 Deuterated CFTR potentiators VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2020-09-01 US disclosed
US-20200031776-A1 DEUTERATED CFTR POTENTIATORS CONCERT PHARMACEUTICALS, INC. 2020-01-30 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 (2 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-20200031776-A1 DEUTERATED CFTR POTENTIATORS CFTR, SLC26A3, SLC26A4 MEN1 2447/4885MAPT 4862/4885KMT2A 4712/4885
US-10759721-B2 Deuterated CFTR potentiators CFTR, SLC26A3, SLC26A4 MEN1 2447/4885MAPT 4862/4885KMT2A 4712/4885

“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.