SCHEMBL21052182

SCHEMBL21052182

Cc1csc(-c2cc(F)ccc2NC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC3 O15379 2/20 0.37
DAO P14920 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL21052202 0.78 TP53 (0.41) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL21052209 0.78 RAB9A (0.48) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL21052219 0.77 CHRM3 (0.39) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL21052234 0.76 ABL1 (0.39) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL10185913 0.76 GRIN2B (0.34) MAPTRAB9ANPC1SMN1; SMN2PKM
SCHEMBL16438563 0.76 CHRM3 (0.53) MAPTHTT
SCHEMBL14922922 0.75 NISCH (0.39)
SCHEMBL18516555 0.75 ESR1 (0.34) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL21052166 0.74 CSF1R (0.41) MAPTRAB9ANPC1HTTTP53
SCHEMBL16438520 0.73 CHRM3 (0.50) MAPTHDAC1

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 6 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 claimed
US-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-01 US claimed
WO-2019110521-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2019-06-13 WO claimed
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
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 (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 MAPT 1996/4885RAB9A 3359/4885NPC1 4519/4885

“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.