SCHEMBL5317201

SCHEMBL5317201

[CH2]C(=O)N(C)c1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.45
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
PIK3C3 Q8NEB9 3/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
PIK3CA P42336 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RIPK1 Q13546 1/20 0.38
PKM P14618 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL2096355 0.83 HTT (0.46) HTTMAPTCES2CES1PIK3C3
SCHEMBL2096358 0.83 HTT (0.46) HTTMAPTCES2CES1PIK3C3
SCHEMBL7002940 0.83 FSCN1 (0.49) HTTMAPTCES2CES1PIK3C3
SCHEMBL2097663 0.81 MAPT (0.45) HTTMAPTCES2CES1PIK3C3
SCHEMBL2097665 0.79 MAPT (0.49) HTTMAPTCES2CES1PIK3C3
SCHEMBL5318965 0.78 MEN1 (0.39) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL30739730 0.76 MAPT (0.47) HTTMAPTPIK3C3PIK3CAKMT2A
SCHEMBL2088005 0.74 MAPT (0.40) HTTMAPTCES2CES1PIK3C3
SCHEMBL5716211 0.73 DDB1 (0.44) HTTMAPTCES2CES1DDB1
SCHEMBL13338139 0.73 DDB1 (0.44) HTTMAPTCES2CES1DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 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-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL HTT 4055/4885MAPT 4461/4885CES2 424/4885

“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.