SCHEMBL5776539

SCHEMBL5776539

COC(=O)c1cc(/C=N/Nc2ccc(-c3cnco3)cc2)cc(I)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.39
IMPDH2 P12268 4/20 0.39
IMPDH1 P20839 1/20 0.39
NPC1 O15118 7/20 0.38
RAB9A P51151 6/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
LMNA P02545 1/20 0.38
AAK1 Q2M2I8 1/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 4/20 0.36
PORCN Q9H237 1/20 0.35
JAK3 P52333 1/20 0.35
SYK P43405 1/20 0.35
POLB P06746 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
SCHEMBL5776542 1.00 EDNRA (0.39) EDNRAIMPDH2IMPDH1NPC1RAB9A
SCHEMBL5777108 0.85 RAB9A (0.45) EDNRAIMPDH2IMPDH1NPC1RAB9A
SCHEMBL5777110 0.85 RAB9A (0.45) EDNRAIMPDH2IMPDH1NPC1RAB9A
SCHEMBL5780488 0.85 MAPT (0.47) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL5780484 0.85 MAPT (0.47) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL5777825 0.76 NPC1 (0.45) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL5775893 0.75 MPO (0.61) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL5775898 0.75 MPO (0.61) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL5777820 0.74 MPO (0.61) NPC1RAB9AKDM4EALDH1A1TDP1
SCHEMBL5777823 0.74 MPO (0.61) NPC1RAB9AKDM4EALDH1A1TDP1

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 EDNRA 2140/4885IMPDH2 4694/4885IMPDH1 4461/4885

“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.