SCHEMBL4698947

SCHEMBL4698947

CCOC(=O)c1c(Cl)c2cc(F)ccc2n(Cc2ccccc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 2/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 1/20 0.52
PTGDR2 Q9Y5Y4 2/20 0.48
TDP2 O95551 1/20 0.47
NSD2 O96028 1/20 0.47
PLCG1 P19174 1/20 0.47
PAX8 Q06710 1/20 0.47
TSHR P16473 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL5124064 0.89 ALDH1A1 (0.63) KDM4EMAPTPKMLMNAGAA
SCHEMBL4698950 0.89 KDM4E (0.58) KDM4EMAPTPKMLMNAGAA
SCHEMBL1055337 0.87 L3MBTL1 (0.53) KDM4EMAPTPKMLMNAGAA
SCHEMBL18582662 0.87 L3MBTL1 (0.71) KDM4EMAPTPKMLMNAGAA
SCHEMBL4751504 0.86 L3MBTL1 (0.50) KDM4EMAPTPKMLMNAGAA
SCHEMBL4755934 0.83 KDM4E (0.49) KDM4EMAPTPKMLMNAGAA
SCHEMBL4697475 0.81 KDM4E (0.48) KDM4EMAPTPKMLMNAGAA
SCHEMBL12932651 0.80 L3MBTL1 (0.69) KDM4EMAPTPKMLMNAGAA
SCHEMBL5529505 0.80 ALDH1A1 (0.81) KDM4EMAPTPKMLMNAGAA
SCHEMBL5525952 0.78 KDM4E (0.71) KDM4EMAPTPKMLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466681-A Tumor necrosis factor alpha inhibitors and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2009-06-24 CN disclosed
EP-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 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-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 KDM4E 4691/4885MAPT 2560/4885PKM 4310/4885

“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.