SCHEMBL3575665

SCHEMBL3575665

COc1ccc(NC=C2C(=O)Nc3ccc(Cc4ccc(C(N)=O)cc4)cc32)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.42
GSK3B P49841 5/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PDE4D Q08499 1/20 0.38
CDYL2 Q8N8U2 1/20 0.38
CDYL Q9Y232 1/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
PAK1 Q13153 2/20 0.38
HSP90AA1 P07900 1/20 0.38
RET P07949 1/20 0.38
TLK2 Q86UE8 1/20 0.38
PARP1 P09874 1/20 0.37
PDPK1 O15530 1/20 0.37
AURKA O14965 1/20 0.37
RAF1 P04049 1/20 0.37

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
SCHEMBL3579643 0.92 PARP1 (0.44) NOX4GSK3BPDE4DCDYL2CDYL
SCHEMBL3575667 0.90 NOX4 (0.44) NOX4GSK3BPAK1RETTLK2
SCHEMBL3581086 0.88 PDPK1 (0.39) GSK3BPSEN1PSEN2APH1BNCSTN
SCHEMBL3581209 0.88 NOX4 (0.44) NOX4GSK3BCDYL2CDYLCDY1; CDY1B
SCHEMBL3579647 0.86 NOX4 (0.41) NOX4GSK3BPDE4DCDYL2CDYL
SCHEMBL4758177 0.84 CDYL2 (0.44) NOX4GSK3BCDYL2CDYLCDY1; CDY1B
SCHEMBL3581378 0.84 CDYL2 (0.44) NOX4GSK3BCDYL2CDYLCDY1; CDY1B
SCHEMBL4705206 0.83 NOX4 (0.53) NOX4GSK3BCDYL2CDYLCDY1; CDY1B
SCHEMBL5434768 0.83 NOX4 (0.53) NOX4GSK3BCDYL2CDYLCDY1; CDY1B
SCHEMBL3572826 0.83 FLT4 (0.43) NOX4RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed

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-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 NOX4 1380/4885GSK3B 478/4885PSEN1 3972/4885

“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.