SCHEMBL21088415

SCHEMBL21088415

COC(=O)c1ccc(F)cc1-c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 8/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
NR4A2 P43354 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RXFP1 Q9HBX9 2/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDK2 Q15119 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
DNMT1 P26358 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1610957 0.85 KMT2A (0.55) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL27825552 0.84 DNMT1 (0.53) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL12320666 0.83 KMT2A (0.53) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL27296115 0.82 CFTR (0.55) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL21052242 0.82 RXFP1 (0.57) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL11271816 0.82 KMT2A (0.48) SLC6A4SLC6A3KMT2AMEN1MAPT
SCHEMBL18952913 0.81 KMT2A (0.54) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL4249807 0.80 KMT2A (0.53) SLC6A4SLC6A3KMT2AMEN1MAPT
SCHEMBL12279647 0.79 KMT2A (0.50) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL7130530 0.78 SLC6A4 (0.47) SLC6A4SLC6A3KMT2AMEN1MAPT

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-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 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
CN-102282129-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 2011-12-14 CN 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-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 CHRM2, CHRM3, CHRM5 SLC6A4 2227/4885SLC6A3 780/4885KMT2A 1182/4885

“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.