SCHEMBL30697294

SCHEMBL30697294

COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)cc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 1.00
GSK3B P49841 1/20 1.00
DYRK1A Q13627 1/20 1.00
CLK4 Q9HAZ1 1/20 1.00
DYRK1B Q9Y463 1/20 1.00
HTT P42858 9/20 0.77
ALDH1A1 P00352 6/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 8/20 0.54
PKM P14618 3/20 0.54
HPGD P15428 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MAPK1 P28482 2/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HIF1A Q16665 1/20 0.54
GAA P10253 3/20 0.48
KDM4E B2RXH2 3/20 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
SCHEMBL4063265 1.00 CLK1 (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4062708 0.96 CLK1 (0.93) CLK1GSK3BDYRK1ACLK4DYRK1B
Acetic Acid SCHEMBL4066978 0.95 CLK1 (0.91) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4795234 0.92 CLK1 (0.85) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4066988 0.87 HTT (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL14863869 0.87 CLK1 (0.77) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4071064 0.85 HTT (0.81) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4066980 0.85 CLK1 (0.73) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4065608 0.85 HTT (1.00) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4066650 0.82 CLK1 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240316055-A1 METHODS FOR TREATING LEIGH SYNDROME DBCC RES LLC (US) 2024-09-26 US disclosed
CN-117243977-A Application of isoxazole-9 combined mesenchymal stem cells in preparation of medicines for preventing or treating acute lung injury 上海交通大学医学院附属瑞金医院 2023-12-19 CN 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-20240316055-A1 METHODS FOR TREATING LEIGH SYNDROME ECHS1, GLS2, OAT CLK1 1305/4885GSK3B 2729/4885DYRK1A 4158/4885

“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.