SCHEMBL5776687

SCHEMBL5776687

C(=NNc1ccccc1-c1cnco1)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44
GAA P10253 7/20 0.43
RAB9A P51151 7/20 0.43
MAPT P10636 6/20 0.43
NPC1 O15118 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
PTK2 Q05397 1/20 0.41
PTGS2 P35354 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL14742652 0.76 RAB9A (0.55) GAARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5776228 0.76 RAB9A (0.55) GAARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5776148 0.75 RAB9A (0.45) GAARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5778422 0.75 RAB9A (0.49) GAARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5779997 0.75 RAB9A (0.49) GAARAB9AMAPTNPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL5778200 0.75 RAB9A (0.57) GAARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL5776602 0.74 RAB9A (0.56) GAARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL28137381 0.71 MAPT (0.61) GAARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL18172074 0.70 ADRA1A (0.54) ADRA1AADRA1DADRA1BGAARAB9A
SCHEMBL18172044 0.70 ADRA1A (0.45) ADRA1AADRA1DADRA1BGAARAB9A

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 ADRA1A 156/4885ADRA1D 133/4885ADRA1B 404/4885

“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.