SCHEMBL4422375

SCHEMBL4422375

CC(=O)N1CC(N)C(=O)N(Cc2ccccc2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.57
AMPD2 Q01433 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
XIAP P98170 5/20 0.47
CYP3A4 P08684 2/20 0.47
CCKBR P32239 1/20 0.43
TSHR P16473 1/20 0.43
NOTUM Q6P988 1/20 0.43
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41

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
SCHEMBL4422374 1.00 BRD4 (0.57) BRD4AMPD2MEN1KMT2APOLB
SCHEMBL4436008 0.90 BRD4 (0.47) BRD4AMPD2MEN1KMT2APOLB
SCHEMBL4425596 0.85 NOTUM (0.46) BRD4AMPD2POLBXIAPNOTUM
SCHEMBL4425590 0.85 NOTUM (0.46) BRD4AMPD2POLBXIAPNOTUM
SCHEMBL13893623 0.84 BRD4 (0.56) BRD4AMPD2MEN1KMT2APOLB
SCHEMBL14599959 0.82 BRD4 (0.55) BRD4AMPD2MEN1KMT2APOLB
SCHEMBL4434152 0.81 NOTUM (0.42) BRD4POLBXIAPNOTUM
Hydrochloric Acid SCHEMBL4429072 0.80 NOTUM (0.41) BRD4POLBXIAPCYP3A4NOTUM
Hydrochloric Acid SCHEMBL4429066 0.80 NOTUM (0.41) BRD4POLBXIAPCYP3A4NOTUM
Hydrochloric Acid SCHEMBL4426338 0.77 NOTUM (0.48) BRD4POLBNOTUM

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 BRD4 3002/4885AMPD2 3220/4885MEN1 1679/4885

“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.