SCHEMBL4436008

SCHEMBL4436008

CC(=O)N1C[C@H](N)C(=O)N(Cc2ccc(F)cc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.47
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
GSK3B P49841 2/20 0.40
ADK P55263 2/20 0.40
XIAP P98170 4/20 0.40
AMPD2 Q01433 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 2/20 0.40
NOTUM Q6P988 1/20 0.39

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 0.90 BRD4 (0.57) BRD4KMT2AMEN1TSHRPOLB
SCHEMBL4422375 0.90 BRD4 (0.57) BRD4KMT2AMEN1TSHRPOLB
SCHEMBL13893718 0.85 BRD4 (0.46) BRD4KMT2AMEN1TSHRMAPT
SCHEMBL14599962 0.84 BRD4 (0.46) BRD4KMT2AMEN1TSHRMAPT
SCHEMBL4425590 0.81 NOTUM (0.46) BRD4POLBXIAPAMPD2NOTUM
SCHEMBL4425596 0.81 NOTUM (0.46) BRD4POLBXIAPAMPD2NOTUM
SCHEMBL3908495 0.80 KMT2A (0.53) BRD4KMT2AMEN1TSHRMAPT
SCHEMBL4434152 0.80 NOTUM (0.42) BRD4POLBXIAPNOTUM
Hydrochloric Acid SCHEMBL4429066 0.79 NOTUM (0.41) BRD4POLBXIAPCYP3A4NOTUM
Hydrochloric Acid SCHEMBL4429072 0.79 NOTUM (0.41) BRD4POLBXIAPCYP3A4NOTUM

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 3002/4885KMT2A 3495/4885MEN1 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.