SCHEMBL4755207

SCHEMBL4755207

CCOC(=O)c1c(N2CCNCC2)c2ccccc2n(-c2ccccc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.64
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 2/20 0.49
KDR P35968 1/20 0.47
KDM4E B2RXH2 2/20 0.47
REN P00797 2/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL5126754 0.90 RECQL (0.54) RECQLMEN1KMT2AALDH1A1
SCHEMBL4753593 0.88 RECQL (0.65) RECQLMEN1KMT2AALDH1A1KDM4E
SCHEMBL14177966 0.87 RECQL (0.63) RECQLMEN1KMT2AALDH1A1KDM4E
SCHEMBL13312621 0.86 ALDH1A1 (0.62) RECQLMEN1KMT2AALDH1A1KDM4E
SCHEMBL4893109 0.79 RECQL (0.55) RECQLMEN1KMT2A
SCHEMBL4753992 0.79 RECQL (1.00) RECQLMEN1KMT2AALDH1A1KDM4E
SCHEMBL14177932 0.79 SMN1; SMN2 (0.49) MEN1KMT2AALDH1A1KDM4E
SCHEMBL4755180 0.78 RECQL (0.76) RECQLMEN1KMT2AALDH1A1KDM4E
SCHEMBL8177892 0.78 RECQL (0.76) RECQLMEN1KMT2AALDH1A1KDM4E
SCHEMBL4752604 0.77 RECQL (0.53) RECQLMEN1KMT2A

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 6 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
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
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 RECQL 3348/4885MEN1 1912/4885KMT2A 4748/4885

“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.