SCHEMBL4064388

SCHEMBL4064388

COc1ccc(NC=Cc2c([N+](=O)[O-])c3ccc(O)cc3n2-c2ccc(C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.63
GSK3B P49841 1/20 0.63
DYRK1A Q13627 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
DYRK1B Q9Y463 1/20 0.63
HTT P42858 8/20 0.56
MAPT P10636 12/20 0.52
KDM4E B2RXH2 3/20 0.52
GAA P10253 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 5/20 0.39
KMT2A Q03164 4/20 0.39

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
SCHEMBL4285556 1.00 CLK1 (0.63) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4062572 0.90 CLK1 (0.58) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4062708 0.81 CLK1 (0.93) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4066326 0.81 MAPT (0.77) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4063265 0.78 CLK1 (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL30697294 0.78 CLK1 (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4795234 0.78 CLK1 (0.85) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4060137 0.78 MAPT (0.82) CLK1GSK3BDYRK1ACLK4DYRK1B
Acetic Acid SCHEMBL4066978 0.74 CLK1 (0.91) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4066988 0.73 HTT (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B

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
US-8883504-B2 Cell differentiation suppressing agent, method of culturing cells using the same, culture solution, and cultured cell line ASAHI KASEI KABUSHIKI KAISHA (JP) 2014-11-11 US disclosed
EP-1960777-B1 SERUM-FREE EXPANSION OF CELLS IN CULTURE CHOONGWAE PHARMA CORP (KR) 2009-10-21 EP disclosed
US-20090155906-A1 CELL DIFFERENTIATION SUPPRESSING AGENT, METHOD OF CULTURING CELLS USING THE SAME, CULTURE SOLUTION, AND CULTURED CELL LINE MIYABAYASHI TOMOYUKI 2009-06-18 US disclosed
US-20070128669-A1 Serum-free expansion of cells in culture INSTITUTE FOR CHEMICAL GENOMICS (US) 2007-06-07 US disclosed
EP-1640449-A1 CELL DIFFERENTIATION INHIBITING AGENT, CELL CULTURE METHOD USING THE SAME, CULTURE MEDIUM AND CULTURED CELL LINE Asahi Kasei Kabushiki Kaisha (JP) 2006-03-29 EP disclosed
US-20050153941-A1 Increasing Stage Specific Embryonic Antigen (SSEA) and Nanog gene levels; culturing a stem cell using a low molecular weight derivative of 2-(phenylazo)-2-(3,4-dihydro-2H-isoquinoline-1-ylidene) or N-phenylindole ASAHI KASEI KABUSHIKI KAISHA (JP) 2005-07-14 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-20050153941-A1 Increasing Stage Specific Embryonic Antigen (SSEA) and Nanog gene levels; culturing a stem cell using a low molecular weight derivative of 2-(phenylazo)-2-(3,4-dihydro-2H-isoquinoline-1-ylidene) or N-phenylindole MKI67, ALPG, NES CLK1 4264/4885GSK3B 3504/4885DYRK1A 2920/4885

“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.