SCHEMBL4698950

SCHEMBL4698950

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
LMNA P02545 2/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
PKM P14618 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 1/20 0.54
TDP2 O95551 1/20 0.49
NSD2 O96028 1/20 0.49
PLCG1 P19174 1/20 0.49
PAX8 Q06710 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.48
MAPK8 P45983 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47

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
SCHEMBL4698947 0.89 KDM4E (0.56) KDM4ELMNAGAAMAPTPKM
SCHEMBL4754692 0.89 ALDH1A1 (0.65) KDM4ELMNAGAAMAPTPKM
SCHEMBL18582662 0.89 L3MBTL1 (0.71) KDM4ELMNAGAAMAPTPKM
SCHEMBL8359675 0.87 KDM4E (0.56) KDM4ELMNAGAAMAPTPKM
SCHEMBL12932651 0.86 L3MBTL1 (0.69) KDM4ELMNAGAAMAPTPKM
SCHEMBL5129415 0.86 KDM4E (0.55) KDM4ELMNAGAAMAPTPKM
SCHEMBL5117212 0.86 L3MBTL1 (0.52) KDM4ELMNAGAAMAPTPKM
SCHEMBL4699355 0.83 RECQL (0.63) GAAMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL5120476 0.82 KDM4E (0.51) KDM4ELMNAGAAMAPTPKM
SCHEMBL14177947 0.82 KDM4E (0.51) KDM4ELMNAGAAMAPTPKM

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 4691/4885LMNA 796/4885GAA 62/4885

“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.