SCHEMBL5777545

SCHEMBL5777545

NNc1ccc(-c2cnco2)c(I)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 11/20 0.42
IMPDH1 P20839 5/20 0.42
AAK1 Q2M2I8 8/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL5777067 0.81 IMPDH2 (0.56) IMPDH2IMPDH1AAK1MAP4K4
SCHEMBL5779035 0.79 IMPDH2 (0.60) IMPDH2IMPDH1AAK1MAP4K4
SCHEMBL14518599 0.78 IMPDH2 (0.68) IMPDH2IMPDH1AAK1
SCHEMBL5778422 0.74 RAB9A (0.49) IMPDH2
SCHEMBL5776770 0.73 PKM (0.58) IMPDH2IMPDH1AAK1MAP4K4
Hydrochloric Acid SCHEMBL5776713 0.71 PKM (0.56) IMPDH2IMPDH1AAK1MAP4K4
SCHEMBL13151143 0.71 MAP4K4 (0.68) IMPDH2MAP4K4
SCHEMBL14364371 0.71 LMNA (0.47) IMPDH2IMPDH1AAK1MAP4K4
SCHEMBL5774602 0.70 AAK1 (0.45) IMPDH2IMPDH1AAK1
SCHEMBL5776255 0.69 CYP11B1 (0.47) AAK1MAP4K4

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 4461/4885AAK1 1161/4885

“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.