SCHEMBL21052246

SCHEMBL21052246

Nc1ccc(-c2ccc(F)c(F)c2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
PTGS2 P35354 7/20 0.39
PTGS1 P23219 5/20 0.39
KIF11 P52732 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
HSD17B10 Q99714 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
APP P05067 1/20 0.34

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
SCHEMBL9478914 0.91 ALDH1A1 (0.53) CYP3A4TDP1ALDH1A1TP53PDE3B
SCHEMBL10434824 0.82 TDP1 (0.43) CYP3A4TDP1ALDH1A1TP53PDE3B
SCHEMBL20486024 0.80 TAAR1 (0.45) CYP3A4TDP1ALDH1A1TP53KIF11
SCHEMBL18866855 0.79 TAAR1 (0.42) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL8015322 0.79 NR4A2 (0.40) TP53PTGS2PTGS1HSD17B10
SCHEMBL15681345 0.78 CYP3A4 (0.40) CYP3A4TDP1ALDH1A1TP53PTGS2
SCHEMBL25271046 0.77 PTGS2 (0.42) PDE3BPDE3APTGS2PTGS1
SCHEMBL21559836 0.77 ALOX5AP (0.44) CYP3A4TDP1ALDH1A1PDE3BPDE3A
SCHEMBL25222235 0.77 ALOX5AP (0.44) CYP3A4TDP1ALDH1A1PDE3BPDE3A
SCHEMBL1513625 0.77 ESR1 (0.43) CYP3A4PDE3BPDE3AKIF11HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720852-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-14 EP disclosed
US-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-01 US disclosed
US-20200305431-A1 PROCESS FOR THE MANUFACTURE OF PYRAZOLE COMPOUNDS SOLVAY SA (BE) 2020-10-01 US disclosed
WO-2019110521-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2019-06-13 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 (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-20200305431-A1 PROCESS FOR THE MANUFACTURE OF PYRAZOLE COMPOUNDS CYP3A4, CYP3A43, CYP2E1 CYP3A4 1/4885TDP1 2224/4885ALDH1A1 245/4885
US-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 CHRM2, CHRM3, CHRM5 CYP3A4 1317/4885TDP1 3542/4885ALDH1A1 866/4885

“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.