SCHEMBL5774837

SCHEMBL5774837

CN(Cc1csc(C=NNc2ccc(-c3cnco3)cc2)n1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.39
IMPDH1 P20839 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 4/20 0.39
PKM P14618 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
AAK1 Q2M2I8 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PORCN Q9H237 1/20 0.36
POLB P06746 1/20 0.34
JAK3 P52333 1/20 0.34
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HTT P42858 1/20 0.33
SYK P43405 1/20 0.33
CYP2D6 P10635 2/20 0.32
HDAC3 O15379 1/20 0.32

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
SCHEMBL5912811 0.88 IMPDH2 (0.40) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL5775549 0.88 IMPDH2 (0.40) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL5776578 0.86 IMPDH2 (0.35) IMPDH2IMPDH1AAK1
SCHEMBL5780289 0.83 IMPDH2 (0.38) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL5775263 0.82 CDK4 (0.40) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL5775270 0.81 NPC1 (0.42) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL5775267 0.81 NPC1 (0.42) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL5912676 0.77 IMPDH2 (0.39) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL5779113 0.77 AAK1 (0.40) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL5779359 0.76 IMPDH2 (0.35) IMPDH2IMPDH1AAK1

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 IMPDH2 4694/4885IMPDH1 4461/4885NPC1 952/4885

“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.