SCHEMBL4752604

SCHEMBL4752604

CCOC(=O)c1c(N2CCN(C=O)CC2)c2cc(C)ccc2n(-c2ccccc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
THRB P10828 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PNP P00491 2/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4893109 0.90 RECQL (0.55) RECQLMEN1KMT2ATHRBSMN1; SMN2
SCHEMBL27744599 0.88 GAA (0.42) RECQLMEN1KMT2ASMN1; SMN2PNP
SCHEMBL5126754 0.88 RECQL (0.54) RECQLMEN1KMT2ATHRBSMN1; SMN2
SCHEMBL4751810 0.85 KDM4E (0.49) MAPT
SCHEMBL4753593 0.80 RECQL (0.65) RECQLMEN1KMT2AMAPT
SCHEMBL5118981 0.80 ALDH1A1 (0.40) SMN1; SMN2MAPT
SCHEMBL4788204 0.80 RECQL (0.78) RECQLMEN1KMT2ATHRBSMN1; SMN2
SCHEMBL4699355 0.79 RECQL (0.63) RECQLMEN1KMT2ATHRBSMN1; SMN2
SCHEMBL14177966 0.79 RECQL (0.63) RECQLMEN1KMT2ATHRBSMN1; SMN2
SCHEMBL4755207 0.77 RECQL (0.64) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.