SCHEMBL3225261

SCHEMBL3225261

O=Cc1ccc(NCCOc2ccc(F)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
DRD2 P14416 3/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
HTR7 P34969 9/20 0.43
POLB P06746 1/20 0.43
ADRA1D P25100 6/20 0.41
ADRA1A P35348 6/20 0.41
ADRA1B P35368 6/20 0.41
HTR2C P28335 4/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3215094 0.82 MEN1 (0.52) HTR7POLBMAPTKMT2AMEN1
SCHEMBL3215078 0.82 MEN1 (0.52) HTR7POLBMAPTKMT2AMEN1
SCHEMBL8189106 0.80 KMT2A (0.54) MAPTKMT2AMEN1HTTNPSR1
SCHEMBL28782093 0.78 HCAR3 (0.60) ALDH1A1ADRA1A
SCHEMBL3232430 0.78 HTR7 (0.46) DRD2DRD4DRD3HTR7ADRA1D
SCHEMBL13428462 0.76 DRD2 (0.47) ALDH1A1L3MBTL1DRD2DRD4DRD3
SCHEMBL1988239 0.76 SMN1; SMN2 (0.55) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL4186158 0.75 ALDH1A1 (0.64) ALDH1A1L3MBTL1DRD2DRD4DRD3
SCHEMBL3233434 0.74 HCAR3 (0.49) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL3299277 0.72 ALDH1A1 (0.44) ALDH1A1L3MBTL1POLB

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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 ALDH1A1 1516/4885L3MBTL1 1127/4885DRD2 1518/4885

“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.