SCHEMBL5779193

SCHEMBL5779193

O=C(O)N1CCN(c2ccc(/C=N/Nc3ccc(-c4cnco4)cc3)cc2I)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.41
NPC1 O15118 7/20 0.37
RAB9A P51151 6/20 0.37
KDM4E B2RXH2 4/20 0.37
PKM P14618 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA1 P00915 2/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
PAX8 Q06710 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IMPDH2 P12268 2/20 0.35
GPR119 Q8TDV5 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
SCHEMBL5779195 1.00 JAK3 (0.41) JAK3NPC1RAB9AKDM4EPKM
SCHEMBL5778002 0.85 JAK3 (0.35) JAK3NPC1RAB9AKDM4EPKM
SCHEMBL5778000 0.85 JAK3 (0.35) JAK3NPC1RAB9AKDM4EPKM
SCHEMBL5779296 0.82 GPR119 (0.38) JAK3KDM4EALDH1A1GAAMAPT
SCHEMBL5779298 0.82 GPR119 (0.38) JAK3KDM4EALDH1A1GAAMAPT
SCHEMBL5779753 0.79 GAA (0.45) JAK3NPC1RAB9AKDM4ELMNA
SCHEMBL5779750 0.79 GAA (0.45) JAK3NPC1RAB9AKDM4ELMNA
SCHEMBL5778013 0.75 GPR119 (0.54) JAK3KMT2AMEN1CA2CA7
SCHEMBL5778010 0.75 GPR119 (0.54) JAK3KMT2AMEN1CA2CA7
SCHEMBL5775956 0.74 GAA (0.61) NPC1RAB9AKDM4EPKMLMNA

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 JAK3 4560/4885NPC1 952/4885RAB9A 3127/4885

“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.