SCHEMBL5779508

SCHEMBL5779508

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.46
ALDH1A1 P00352 11/20 0.43
KDM4E B2RXH2 10/20 0.43
NPC1 O15118 9/20 0.43
RAB9A P51151 9/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
HPGD P15428 6/20 0.43
POLB P06746 3/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A3 P47895 2/20 0.41
MAPT P10636 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39
ADRB2 P07550 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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 1.00 APP (0.46) APPALDH1A1KDM4ENPC1RAB9A
SCHEMBL5772449 0.86 ALDH1A1 (0.50) APPALDH1A1KDM4ENPC1RAB9A
SCHEMBL5772446 0.86 ALDH1A1 (0.50) APPALDH1A1KDM4ENPC1RAB9A
SCHEMBL5777499 0.83 APP (0.50) APPALDH1A1KDM4ENPC1RAB9A
SCHEMBL13045468 0.71 APP (0.66) APPALDH1A1KDM4ENPC1RAB9A
SCHEMBL24706356 0.70 MAPT (0.49) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL22130084 0.70 MAPT (0.49) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL15177306 0.69 APP (0.73) APPALDH1A1KDM4ENPC1RAB9A
SCHEMBL2429884 0.69 APP (0.62) APPALDH1A1KDM4ENPC1RAB9A
SCHEMBL2431086 0.69 ALDH1A3 (0.68) APPALDH1A1KDM4ENPC1RAB9A

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 1541/4885KDM4E 4325/4885

“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.