SCHEMBL5777110

SCHEMBL5777110

COC(=O)c1cc(C=NNc2ccc(-c3cnco3)cc2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
NPC1 O15118 7/20 0.45
KDM4E B2RXH2 5/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
CASP6 P55212 1/20 0.45
MPO P05164 2/20 0.43
PTGS2 P35354 2/20 0.42
EDNRA P25101 1/20 0.41
IMPDH2 P12268 3/20 0.41
IMPDH1 P20839 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
TLR9 Q9NR96 1/20 0.40

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
SCHEMBL5777108 1.00 RAB9A (0.45) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL5777825 0.89 NPC1 (0.45) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL5776542 0.85 EDNRA (0.39) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL5776539 0.85 EDNRA (0.39) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL5777823 0.85 MPO (0.61) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL5777820 0.85 MPO (0.61) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL5775898 0.83 MPO (0.61) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL5775893 0.83 MPO (0.61) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL5774746 0.79 MAPT (0.55) RAB9ANPC1KDM4EGAAMAPT
SCHEMBL5774744 0.79 MAPT (0.55) RAB9ANPC1KDM4EGAAMAPT

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 RAB9A 3127/4885NPC1 952/4885KDM4E 4325/4885

“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.