SCHEMBL5016282

SCHEMBL5016282

O=C(O)CC(=O)NCc1cc(F)cc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 3/20 0.44
METAP2 P50579 3/20 0.44
SRC P12931 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 2/20 0.42
AURKA O14965 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
MAPK1 P28482 1/20 0.40
TPSAB1 Q15661 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3563691 0.82 METAP2 (0.47) HTTRAB9AALDH1A1LMNAMETAP2
SCHEMBL4035438 0.81 HTT (0.47) HTTRAB9AALDH1A1LMNAMETAP2
SCHEMBL18415454 0.79 METAP2 (0.49) HTTALDH1A1LMNAMETAP2POLB
SCHEMBL17513342 0.77 TACR1 (0.59) RAB9AALDH1A1METAP2POLBHPGD
SCHEMBL22803039 0.77 MCL1 (0.60) HTTRAB9AALDH1A1LMNAMETAP2
SCHEMBL23385216 0.76 CYP2C9 (0.50) LMNAMETAP2POLBAURKAEGLN1
SCHEMBL885252 0.76 KMT2A (0.48) RAB9AALDH1A1METAP2POLBAURKA
SCHEMBL29860418 0.74 HTT (0.40) HTTALDH1A1LMNAMETAP2AURKA
SCHEMBL622501 0.74 GAA (0.68) HTTRAB9AALDH1A1LMNAHPGD
SCHEMBL5026355 0.73 METAP2 (0.41) METAP2AURKAEGLN1MAPK1

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-1592684-B1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
US-7375099-B2 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-05-20 US disclosed
EP-1592684-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP disclosed
US-20040220222-A1 Malonamide derivatives F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-11-04 US disclosed
WO-2004069826-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 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-20040220222-A1 Malonamide derivatives BACE1, BACE2, APP HTT 800/4885RAB9A 547/4885ALDH1A1 887/4885

“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.