SCHEMBL4065608

SCHEMBL4065608

Cc1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 1.00
CLK1 P49759 1/20 0.73
GSK3B P49841 1/20 0.73
DYRK1A Q13627 1/20 0.73
CLK4 Q9HAZ1 1/20 0.73
DYRK1B Q9Y463 1/20 0.73
MAPT P10636 5/20 0.64
GAA P10253 2/20 0.64
KDM4E B2RXH2 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
GFER P55789 1/20 0.51
LMNA P02545 5/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL4066988 0.89 HTT (1.00) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL4795234 0.88 CLK1 (0.85) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL4071064 0.87 HTT (0.81) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL4063265 0.85 CLK1 (1.00) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL30697294 0.85 CLK1 (1.00) HTTCLK1GSK3BDYRK1ACLK4
Acetic Acid SCHEMBL4066978 0.83 CLK1 (0.91) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL14863869 0.82 CLK1 (0.77) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL4062708 0.82 CLK1 (0.93) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL4059111 0.80 HTT (0.67) HTTCLK1GSK3BDYRK1ACLK4
SCHEMBL4060302 0.80 HTT (0.67) HTTCLK1GSK3BDYRK1ACLK4

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 10 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
WO-2007025090-A2 HETEROBICYCLIC AND - TRICYCLIC INHIBITORS OF MAPK/ERK KINASE KALYPSYS, INC. (US) 2007-03-01 WO disclosed
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase KALYPSYS, INC. 2007-03-01 US disclosed
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase KALYPSYS, INC. 2007-03-01 US disclosed
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase KALYPSYS, INC. 2007-03-01 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 (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-20070049591-A1 Inhibitors of MAPK/Erk Kinase MAPK1, MAP3K1, MAP3K6 HTT 3149/4885CLK1 428/4885GSK3B 489/4885
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 HTT 4510/4885CLK1 4264/4885GSK3B 3504/4885

“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.