SCHEMBL5779394

SCHEMBL5779394

CN(C)CCOc1ccc(C=NNc2ccc(-c3cnco3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
CYP3A4 P08684 1/20 0.51
ROCK2 O75116 1/20 0.46
GAA P10253 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
KCNH2 Q12809 1/20 0.42
GSK3B P49841 1/20 0.42
PORCN Q9H237 1/20 0.41
ADRB3 P13945 1/20 0.39
LTA4H P09960 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
MPO P05164 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL5779391 1.00 CYP2D6 (0.51) CYP2D6CYP3A4ROCK2GAAHRH3
SCHEMBL23554050 0.83 CYP3A4 (0.71) CYP2D6CYP3A4ROCK2GAAHRH3
SCHEMBL5778670 0.83 PORCN (0.51) CYP2D6CYP3A4GAAPORCNLMNA
SCHEMBL5778667 0.83 PORCN (0.51) CYP2D6CYP3A4GAAPORCNLMNA
SCHEMBL5779782 0.82 LMNA (0.40) CYP2D6CYP3A4GAAHRH3GSK3B
SCHEMBL5779785 0.82 LMNA (0.40) CYP2D6CYP3A4GAAHRH3GSK3B
SCHEMBL5779159 0.80 PORCN (0.57) CYP2D6CYP3A4GAAPORCNLMNA
SCHEMBL5779152 0.80 PORCN (0.57) CYP2D6CYP3A4GAAPORCNLMNA
SCHEMBL5778833 0.80 MPO (0.56) GAALMNAPKMMPOMEN1
SCHEMBL5778831 0.80 MPO (0.56) GAALMNAPKMMPOMEN1

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-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT CYP2D6 3019/4885CYP3A4 3183/4885ROCK2 4262/4885

“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.