SCHEMBL5774602

SCHEMBL5774602

O=[N+]([O-])c1ccc(-c2cnco2)c(I)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.45
ALDH1A1 P00352 2/20 0.41
PTPRC P08575 3/20 0.40
S100A4 P26447 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CLK1 P49759 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
MAPT P10636 4/20 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
SCHEMBL8347590 0.84 GPR35 (0.47) AAK1ALDH1A1PTPRCS100A4CA1
SCHEMBL30298789 0.82 ALDH1A1 (0.49) AAK1ALDH1A1PTPRCS100A4CA1
SCHEMBL30292047 0.82 MAPT (0.53) AAK1ALDH1A1PTPRCS100A4MEN1
SCHEMBL30292049 0.82 IMPDH2 (0.45) AAK1ALDH1A1PTPRCS100A4CA1
SCHEMBL5777364 0.82 IMPDH2 (0.45) AAK1ALDH1A1PTPRCS100A4CA1
SCHEMBL6170663 0.82 ALDH1A1 (0.49) AAK1ALDH1A1PTPRCS100A4CA1
SCHEMBL6170216 0.82 AAK1 (0.55) AAK1ALDH1A1PTPRCS100A4CA1
SCHEMBL6224045 0.82 MAPT (0.53) AAK1ALDH1A1PTPRCS100A4MEN1
SCHEMBL16371752 0.82 CYP3A4 (0.45) AAK1ALDH1A1PTPRCS100A4CA1
SCHEMBL926287 0.79 HSD17B10 (0.49) AAK1ALDH1A1PTPRCS100A4CA1

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 AAK1 1161/4885ALDH1A1 1541/4885PTPRC 4607/4885

“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.