SCHEMBL5777499

SCHEMBL5777499

N#CC(C#N)=NNc1ccc(-c2cn3cc(I)ccc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.50
ALDH1A1 P00352 6/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A3 P47895 3/20 0.41
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MITF O75030 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5C P41229 1/20 0.40
PAX8 Q06710 1/20 0.40
ALDH1A2 O94788 1/20 0.39
MAPT P10636 4/20 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
SCHEMBL5779503 0.83 APP (0.46) APPALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5779508 0.83 APP (0.46) APPALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5772446 0.78 ALDH1A1 (0.50) APPALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5772449 0.78 ALDH1A1 (0.50) APPALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15177306 0.76 APP (0.73) APPALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2431086 0.75 ALDH1A3 (0.68) APPALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5776509 0.75 APP (0.61) APPALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13045468 0.75 APP (0.66) APPALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL923484 0.74 MAPT (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1726415 0.73 APP (0.66) APPALDH1A1NPC1RAB9ASMN1; SMN2

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 APP 1/4885ALDH1A1 1541/4885NPC1 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.