SCHEMBL5777825

SCHEMBL5777825

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.45
RAB9A P51151 11/20 0.45
GAA P10253 9/20 0.45
KDM4E B2RXH2 7/20 0.45
MAPT P10636 7/20 0.45
POLB P06746 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
APEX1 P27695 1/20 0.45
CASP6 P55212 1/20 0.45
ALDH1A1 P00352 6/20 0.44
PKM P14618 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GFER P55789 1/20 0.43
MAPK1 P28482 2/20 0.42
PAX8 Q06710 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MITF O75030 1/20 0.42

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
SCHEMBL5777110 0.89 RAB9A (0.45) NPC1RAB9AGAAKDM4EMAPT
SCHEMBL5777108 0.89 RAB9A (0.45) NPC1RAB9AGAAKDM4EMAPT
SCHEMBL5775956 0.83 GAA (0.61) NPC1RAB9AGAAKDM4EMAPT
SCHEMBL5777820 0.81 MPO (0.61) NPC1RAB9AGAAKDM4EMAPT
SCHEMBL5777823 0.81 MPO (0.61) NPC1RAB9AGAAKDM4EMAPT
SCHEMBL5779274 0.81 NPC1 (0.47) NPC1RAB9AGAAKDM4EMAPT
SCHEMBL5779271 0.81 NPC1 (0.47) NPC1RAB9AGAAKDM4EMAPT
SCHEMBL5775898 0.80 MPO (0.61) NPC1RAB9AGAAKDM4EMAPT
SCHEMBL5775893 0.80 MPO (0.61) NPC1RAB9AGAAKDM4EMAPT
SCHEMBL5777066 0.78 NPC1 (0.46) NPC1RAB9AGAAKDM4EMAPT

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 NPC1 952/4885RAB9A 3127/4885GAA 3175/4885

“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.