SCHEMBL4425596

SCHEMBL4425596

CCN1C(=O)C(N)CN(C(C)=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.46
BRD4 O60885 2/20 0.45
POLB P06746 1/20 0.43
XIAP P98170 3/20 0.40
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.37
AMPD2 Q01433 1/20 0.37
HSD17B3 P37058 1/20 0.37
AADAT Q8N5Z0 1/20 0.36
LMNA P02545 1/20 0.36
GOT1 P17174 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL4425590 1.00 NOTUM (0.46) NOTUMBRD4POLBXIAPCYP2D6
SCHEMBL4422374 0.85 BRD4 (0.57) NOTUMBRD4POLBXIAPAMPD2
SCHEMBL4422375 0.85 BRD4 (0.57) NOTUMBRD4POLBXIAPAMPD2
SCHEMBL4434152 0.84 NOTUM (0.42) NOTUMBRD4POLBXIAPCYP2D6
Hydrochloric Acid SCHEMBL4429072 0.83 NOTUM (0.41) NOTUMBRD4POLBXIAPCYP2D6
Hydrochloric Acid SCHEMBL4429066 0.83 NOTUM (0.41) NOTUMBRD4POLBXIAPCYP2D6
SCHEMBL4436008 0.81 BRD4 (0.47) NOTUMBRD4POLBXIAPAMPD2
SCHEMBL14599948 0.81 XIAP (0.45) NOTUMBRD4POLBXIAPCYP2D6
Hydrochloric Acid SCHEMBL4426329 0.80 NOTUM (0.48) NOTUMBRD4POLBCYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4426338 0.80 NOTUM (0.48) NOTUMBRD4POLBCYP2D6CYP2C9

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-1711470-B1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE HOFFMANN LA ROCHE (CH) 2009-04-15 EP disclosed
US-7160875-B2 Malonamide derivatives HOFFMANN-LA RACHE INC. (US) 2007-01-09 US disclosed
EP-1711470-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVTIY OF GAMMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2006-10-18 EP disclosed
WO-2005023772-A1 MALONAMIDE DERIVATIVES BLOCKING THE ACTIVITY OF GAMA-SECRETASE F. HOFFMANN-LA ROCHE AG (CH) 2005-03-17 WO disclosed
US-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. 2005-03-10 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-20050054633-A1 secretase inhibitors; therapy for Alzheimer's disease BACE1, BACE2, APP NOTUM 80/4885BRD4 3002/4885POLB 1941/4885

“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.