SCHEMBL3961361

SCHEMBL3961361

CCOC(=O)C(C(=O)OC(C)(C)C)c1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 5/20 0.42
MAPT P10636 8/20 0.39
HTT P42858 3/20 0.39
GSR P00390 1/20 0.39
TXNRD1 Q16881 1/20 0.39
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 2/20 0.38
MERTK Q12866 1/20 0.37
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL30889027 0.92 ALDH1A1 (0.48) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL6642983 0.92 ALDH1A1 (0.48) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL24496404 0.88 ALDH1A1 (0.43) KMT2ALMNAALDH1A1MAPTGSTP1
SCHEMBL29392101 0.85 TXNRD1 (0.44) KMT2ALMNAALDH1A1MAPTGSR
SCHEMBL24251666 0.85 TXNRD1 (0.44) KMT2ALMNAALDH1A1MAPTGSR
SCHEMBL3968921 0.83 ALDH1A1 (0.39) KMT2ALMNAALDH1A1MAPTL3MBTL1
SCHEMBL13040072 0.83 LMNA (0.50) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL14710607 0.81 ALDH1A1 (0.60) KMT2AALDH1A1MAPTHTTGSR
SCHEMBL13586870 0.81 MAPT (0.46) KMT2ALMNAALDH1A1MAPTHTT
SCHEMBL24496548 0.81 ALDH1A1 (0.67) KMT2ALMNAALDH1A1MAPTHTT

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-7626031-B2 5-[(1-Ethylpiperidin-4-yl)amino]-3-[(3-fluorophenyl)(1H-imidazol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one; antiproliferative agents; modulating cell differentiation,migration, and chemoinvasion; endothelial growth factor-modulated diseases; antiarthritic agents; graft versus host diseases SYMPHONY EVOLUTION, INC. (US) 2009-12-01 US disclosed
EP-1581309-A4 KINASE MODULATORS EXELIXIS INC (US) 2009-07-29 EP disclosed
US-20060122171-A1 Kinase modulators SYMPHONY EVOLUTION, INC. 2006-06-08 US disclosed
EP-1581309-A2 KINASE MODULATORS Exelixis, Inc. (US) 2005-10-05 EP disclosed
WO-2004050681-A2 KINASE MODULATORS EXELIXIS, INC. (US) 2004-06-17 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 (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-20060122171-A1 Kinase modulators FLT1, KDR, FLT4 KMT2A 3778/4885LMNA 3325/4885ALDH1A1 1525/4885

“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.