SCHEMBL13428454

SCHEMBL13428454

OCc1cnc(NCCOc2ccc(F)cc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
HTR7 P34969 7/20 0.40
ADRA1D P25100 4/20 0.40
ADRA1A P35348 4/20 0.40
ADRA1B P35368 4/20 0.40
HTR2C P28335 3/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CHRNA7 P36544 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
MAPT P10636 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
SCHEMBL3221498 0.87 PIK3CD (0.48) DRD2DRD4DRD3HTR7ADRA1D
SCHEMBL8173678 0.84 PIK3CD (0.44) DRD2DRD4DRD3NPC1RAB9A
SCHEMBL13428462 0.80 DRD2 (0.47) DRD2DRD4DRD3HTR7ADRA1D
SCHEMBL3831496 0.79 KMT2A (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13428582 0.77 KMT2A (0.48) DRD2DRD4DRD3HTR7ADRA1D
SCHEMBL3232430 0.76 HTR7 (0.46) DRD2DRD4DRD3HTR7ADRA1D
SCHEMBL13428492 0.76 MCHR1 (0.36) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3217492 0.76 P2RY12 (0.48) NPC1CHRNA7MEN1KMT2AMAPT
SCHEMBL13429138 0.75 KMT2A (0.48) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13428446 0.73 KDM4E (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 2 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

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 DRD2 1518/4885DRD4 3477/4885DRD3 1647/4885

“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.