SCHEMBL4854897

SCHEMBL4854897

[NH]C(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.62
ALDH1A1 P00352 6/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPT P10636 9/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 2/20 0.53
ATM Q13315 1/20 0.53
MAOB P27338 1/20 0.53
PKM P14618 1/20 0.53
KMO O15229 1/20 0.51
MEN1 O00255 2/20 0.51

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
SCHEMBL3824666 0.84 GSK3B (0.66) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL2742813 0.84 NPC1 (0.66) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL60648 0.82 KMO (0.67) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL334850 0.81 MAPT (0.74) GSK3BALDH1A1HPGDKDM4EALOX15
Hydrochloric Acid SCHEMBL6186324 0.81 KMO (0.65) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL24890550 0.81 GSK3B (0.62) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL1397706 0.81 GSK3B (0.62) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL24164412 0.81 GSK3B (0.62) GSK3BALDH1A1HPGDKDM4EALOX15
SCHEMBL1136506 0.81 GSK3B (0.62) GSK3BALDH1A1HPGDKDM4EALOX15
Hydrochloric Acid SCHEMBL6538516 0.79 KMO (0.63) GSK3BALDH1A1HPGDKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO 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 (2 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 GSK3B 469/4885ALDH1A1 2391/4885HPGD 1229/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 GSK3B 465/4885ALDH1A1 3257/4885HPGD 1055/4885

“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.