SCHEMBL5456097

SCHEMBL5456097

COc1ccc2c(c1)cc(-c1ccc([N+](=O)[O-])c3c1C(=O)NC3)n2C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FBP1 P09467 3/20 0.35
ROCK2 O75116 2/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAP3K9 P80192 3/20 0.34
MAP3K11 Q16584 3/20 0.34
KDR P35968 2/20 0.34
GSK3B P49841 2/20 0.34
AURKA O14965 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34

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
SCHEMBL5327155 0.89 ATR (0.42) ALDH1A1MAPTKDM4EAPEX1TDP1
SCHEMBL5335201 0.79 KDR (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL5332483 0.79 NR1H2 (0.38) KDRAURKA
SCHEMBL5458820 0.78 KDR (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL5331924 0.75 AURKA (0.61) MAPTKDM4EROCK2MAP3K9MAP3K11
SCHEMBL5459321 0.72 KDM4E (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL5333314 0.68 KDR (0.52) KDRAURKA
SCHEMBL5327142 0.67 NR1H2 (0.51) KDRAURKA
SCHEMBL28936204 0.66 CHEK1 (0.42) ALDH1A1TDP1GSK3BCDK5
SCHEMBL29919756 0.66 CHEK1 (0.42) ALDH1A1TDP1GSK3BCDK5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-12 US 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-20070161648-A1 Substituted dihydro-isoindolones useful in treating kinase disorders MAP3K20, MAP3K3, MAP3K19 ALDH1A1 2086/4885MAPT 2968/4885KDM4E 1782/4885

“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.