SCHEMBL4081804

SCHEMBL4081804

O=C(O)c1cccc(Oc2ncccc2C(=O)NCc2ccc(CNC(=O)c3cccc(O)c3)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.63
LOX P28300 2/20 0.49
LOXL2 Q9Y4K0 2/20 0.49
HPGD P15428 2/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL4098042 0.90 MAPK8 (0.60) MAPK8LOXLOXL2HPGDKMT2A
SCHEMBL7307728 0.90 MAPK8 (0.78) MAPK8LOXLOXL2HPGDKMT2A
SCHEMBL4082338 0.88 MAPK8 (0.55) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL4092424 0.86 MAPK8 (0.60) MAPK8
SCHEMBL7371941 0.80 MAPK8 (0.65) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL6454278 0.79 MAPK8 (0.49) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL4459782 0.79 MAPK8 (0.53) MAPK8HPGDKMT2ALMNASMN1; SMN2
SCHEMBL5220231 0.79 ALDH1A1 (0.61) MAPK8KMT2A
SCHEMBL7310026 0.78 MAPK8 (1.00) MAPK8
SCHEMBL6051217 0.78 PTGER4 (0.61) MAPK8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 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-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 MAPK8 88/4885LOX 1627/4885LOXL2 1810/4885

“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.