SCHEMBL4008558

SCHEMBL4008558

O=C(CCCN1CCOCC1)c1cccc(O)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
TP53 P04637 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
MAPT P10636 5/20 0.59
KMT2A Q03164 5/20 0.59
ALDH3A1 P30838 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CTNNB1 P35222 1/20 0.51
KDR P35968 3/20 0.51
LMNA P02545 1/20 0.49
MPI P34949 1/20 0.49
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL499446 0.92 ALDH1A1 (0.71) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL21643443 0.85 ALDH1A1 (0.62) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL501352 0.84 ALDH1A1 (0.82) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL29803051 0.81 KDM4E (0.60) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL21643563 0.81 KDM4E (0.60) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL7391718 0.80 DRD4 (0.47) L3MBTL1CTNNB1KDM4EDRD2DRD4
SCHEMBL4005414 0.80 EGFR (0.66) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL11548948 0.78 ALDH1A1 (0.67) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL11678069 0.78 ALDH1A1 (0.67) ALDH1A1TP53SMN1; SMN2NPC1RAB9A
SCHEMBL13982252 0.78 ERN1 (0.70) ALDH1A1TP53SMN1; SMN2NPC1RAB9A

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-7547779-B2 Preparation of 1,6-disubstituted azabenzimidazoles as kinase inhibitors GLAXO GROUP LIMITED (GB) 2009-06-16 US disclosed
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-09-25 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-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors TNK2, ROCK1, ARHGDIB ALDH1A1 4395/4885TP53 2113/4885SMN1; SMN2 3561/4885

“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.