SCHEMBL4896274

SCHEMBL4896274

COc1ccc(CN2C(=O)NCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.43
NPBWR1 P48145 1/20 0.42
CMA1 P23946 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PDE5A O76074 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39

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
SCHEMBL4596375 0.86 GSK3A (0.47) CHRM5HSP90AA1GSK3AGSK3B
SCHEMBL4893794 0.82 CMA1 (0.43) CHRM5NPBWR1CMA1HSP90AA1MEN1
SCHEMBL6908429 0.80 CMA1 (0.49) CMA1MEN1KMT2AHTTALDH1A1
SCHEMBL6668852 0.76 L3MBTL1 (0.56) CMA1MEN1KMT2AALDH1A1MAPT
SCHEMBL3304979 0.73 HDAC6 (0.52) ALDH1A1MAPTKDM4E
SCHEMBL13330272 0.73 HSP90AA1 (0.53) CHRM5HSP90AA1ALDH1A1MAPT
SCHEMBL14480534 0.71 CHRM5 (0.56) CHRM5
SCHEMBL3310868 0.70 HDAC6 (0.53)
SCHEMBL3309668 0.70 HDAC6 (0.48) CHRM5HSP90AA1
SCHEMBL6407514 0.70 MEN1 (0.64) CMA1MEN1KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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 (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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 CHRM5 4270/4885NPBWR1 4579/4885CMA1 2057/4885

“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.