SCHEMBL20657461

SCHEMBL20657461

C/C(=N/c1ccc(OC(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.54
NOS1 P29475 2/20 0.54
NOS2 P35228 2/20 0.54
MAPT P10636 3/20 0.41
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PDE2A O00408 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EPAS1 Q99814 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL19148979 1.00 NOS3 (0.54) NOS3NOS1NOS2MAPTEPHX2
SCHEMBL20657405 0.83 NOS3 (0.60) NOS3NOS1NOS2MAPTMEN1
SCHEMBL19149163 0.83 NOS3 (0.60) NOS3NOS1NOS2MAPTMEN1
SCHEMBL20657403 0.80 MPI (0.44) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL20657404 0.80 MPI (0.44) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL23084206 0.79 NOS3 (0.51) NOS3NOS1NOS2MAPTEPHX2
SCHEMBL19150085 0.79 NOS3 (0.51) NOS3NOS1NOS2MAPTEPHX2
SCHEMBL23084234 0.79 NOS3 (0.51) NOS3NOS1NOS2MAPTEPHX2
SCHEMBL20657417 0.79 NOS3 (0.51) NOS3NOS1NOS2MAPTEPHX2
SCHEMBL11876433 0.77 NOS3 (0.61) NOS3NOS1NOS2

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-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-23 US disclosed
US-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 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-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES KCNQ1, KCNQ2, KCNQ4 NOS3 3640/4885NOS1 3993/4885NOS2 3430/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 NOS3 3640/4885NOS1 3993/4885NOS2 3430/4885

“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.