SCHEMBL3575834

SCHEMBL3575834

COc1ccc(N/C=C2/C(=O)Nc3cc(C(=O)c4cccc(NC(C)=O)c4)ccc32)cc1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.47
NTRK3 Q16288 1/20 0.45
GSK3B P49841 3/20 0.44
FLT3 P36888 3/20 0.43
FLT4 P35916 2/20 0.43
KDR P35968 2/20 0.43
POLB P06746 1/20 0.41
RET P07949 2/20 0.41
AURKB Q96GD4 3/20 0.40
JAK3 P52333 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KIT P10721 1/20 0.39
PDPK1 O15530 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3575839 1.00 NOX4 (0.47) NOX4NTRK3GSK3BFLT3FLT4
SCHEMBL4758595 0.93 NOX4 (0.54) NOX4GSK3BPOLBRETJAK3
SCHEMBL4758589 0.93 NOX4 (0.54) NOX4GSK3BPOLBRETJAK3
SCHEMBL3573600 0.93 NOX4 (0.48) NOX4NTRK3GSK3BFLT3FLT4
SCHEMBL3573605 0.93 NOX4 (0.48) NOX4NTRK3GSK3BFLT3FLT4
SCHEMBL3579464 0.89 NTRK3 (0.47) NOX4NTRK3GSK3BFLT3FLT4
SCHEMBL3579462 0.89 NTRK3 (0.47) NOX4NTRK3GSK3BFLT3FLT4
SCHEMBL3572683 0.89 FLT3 (0.43) NOX4FLT3FLT4KDRRET
SCHEMBL3572688 0.88 FLT3 (0.41) NOX4FLT3FLT4KDRRET
SCHEMBL3580088 0.86 ALDH1A1 (0.47) NTRK3GSK3BKDRJAK3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 NOX4 1226/4885NTRK3 444/4885GSK3B 491/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 NOX4 1380/4885NTRK3 418/4885GSK3B 478/4885

“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.