SCHEMBL3280331

SCHEMBL3280331

COc1cc(C2c3ccccc3C(=O)N2CCc2ccccn2)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.53
MAPT P10636 5/20 0.53
THRB P10828 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
SCN9A Q15858 3/20 0.48
ACHE P22303 1/20 0.47
RAF1 P04049 3/20 0.47
MAP2K1 Q02750 3/20 0.47
SCN5A Q14524 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 1/20 0.43
FPR1 P21462 1/20 0.43

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
SCHEMBL13407482 0.88 MAPT (0.51) TP53MAPTTHRBTDP1L3MBTL1
SCHEMBL3281492 0.78 TDP1 (0.52) TP53MAPTTDP1RAF1MAP2K1
Pyridine SCHEMBL3281494 0.73 TDP1 (0.54) TP53MAPTTDP1ALDH1A1HSD17B10
SCHEMBL13389777 0.73 ACHE (0.46) TP53MAPTTDP1L3MBTL1SCN9A
SCHEMBL3029406 0.72 MAPT (0.50) TP53MAPTTDP1L3MBTL1ALDH1A1
SCHEMBL3029407 0.72 MAPT (0.50) TP53MAPTTDP1L3MBTL1ALDH1A1
SCHEMBL3288672 0.72 TP53 (0.51) TP53MAPTTDP1SCN9AACHE
SCHEMBL3281023 0.72 MDM2 (0.48) TP53SCN9AACHERAF1MAP2K1
SCHEMBL6324640 0.69 BCHE (0.70) TP53L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL3953915 0.68 SCN9A (0.64) SCN9ASCN5AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705021-B2 Isoindolone compounds, compositions containing the same, and methods of use thereof for the treatment of viral infections related to the etiology of cancer FOX CHASE CANCER CENTER (US) 2010-04-27 US claimed
US-20060264473-A1 Isoindolone compounds, compositions containing the same, and methods of use thereof for the treatment of viral infections related to the etiology of cancer THE INSTITUTE FOR CANCER RESEARCH 2006-11-23 US claimed
US-7705021-B2 Isoindolone compounds, compositions containing the same, and methods of use thereof for the treatment of viral infections related to the etiology of cancer FOX CHASE CANCER CENTER (US) 2010-04-27 US disclosed
US-7705021-B2 Isoindolone compounds, compositions containing the same, and methods of use thereof for the treatment of viral infections related to the etiology of cancer FOX CHASE CANCER CENTER (US) 2010-04-27 US disclosed
US-20060264473-A1 Isoindolone compounds, compositions containing the same, and methods of use thereof for the treatment of viral infections related to the etiology of cancer THE INSTITUTE FOR CANCER RESEARCH 2006-11-23 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-20060264473-A1 Isoindolone compounds, compositions containing the same, and methods of use thereof for the treatment of viral infections related to the etiology of cancer CYP27A1, CYP27B1, HSD17B11 TP53 25/4885MAPT 3528/4885THRB 3591/4885

“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.