SCHEMBL4434136

SCHEMBL4434136

CC(=O)N1C(=O)C(N)CNc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B3 P37058 1/20 0.43
HSD17B10 Q99714 1/20 0.42
NOTUM Q6P988 2/20 0.41
BRPF1 P55201 1/20 0.39
CES1 P23141 1/20 0.39
NOX1 Q9Y5S8 1/20 0.37
AADAT Q8N5Z0 3/20 0.37
GOT1 P17174 1/20 0.37
KYAT1 Q16773 1/20 0.37
KYAT3 Q6YP21 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RIPK1 Q13546 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
XIAP P98170 1/20 0.34

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
SCHEMBL4434132 1.00 GAA (0.51) GAASMN1; SMN2HSD17B3HSD17B10NOTUM
SCHEMBL3917385 0.79 BRPF1 (0.54) GAAHSD17B3BRPF1AADATGOT1
SCHEMBL3917387 0.79 BRPF1 (0.54) GAAHSD17B3BRPF1AADATGOT1
Hydrochloric Acid SCHEMBL21751195 0.78 BRPF1 (0.53) GAABRPF1AADATGOT1KYAT1
Hydrochloric Acid SCHEMBL2235587 0.78 BRPF1 (0.53) GAABRPF1AADATGOT1KYAT1
Hydrochloric Acid SCHEMBL21751196 0.78 BRPF1 (0.53) GAABRPF1AADATGOT1KYAT1
Hydrochloric Acid SCHEMBL2235585 0.78 BRPF1 (0.53) GAABRPF1AADATGOT1KYAT1
SCHEMBL8893469 0.75 CA12 (0.40) MEN1KMT2AXIAP
SCHEMBL645717 0.74 LMNA (0.43) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL645716 0.73 LMNA (0.42) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A

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 GAA 21/4885SMN1; SMN2 1961/4885HSD17B3 218/4885

“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.