SCHEMBL5016485

SCHEMBL5016485

Cc1ccc(CNC(=O)C(C)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.57
PKM P14618 1/20 0.56
GAA P10253 1/20 0.54
LMNA P02545 1/20 0.53
NPC1 O15118 2/20 0.51
HPGD P15428 2/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
ANPEP P15144 1/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL5023170 0.86 KMT2A (0.73) KMT2AMEN1ALDH1A1
SCHEMBL5016313 0.85 MAPK1 (0.60) KMT2AMEN1GAALMNANPC1
SCHEMBL5023255 0.85 TSHR (0.60) KMT2AMEN1SMN1; SMN2GAALMNA
SCHEMBL12757443 0.84 KMT2A (0.63) KMT2AMEN1SMN1; SMN2PKMGAA
SCHEMBL5017848 0.82 ALDH1A1 (0.58) KMT2AMEN1SMN1; SMN2PKMGAA
SCHEMBL5023071 0.81 KMT2A (0.54) KMT2AMEN1HPGDTP53ALDH1A1
SCHEMBL8763345 0.81 KMT2A (0.59) KMT2AMEN1SMN1; SMN2PKMGAA
SCHEMBL30956341 0.81 MEN1 (0.59) KMT2AMEN1SMN1; SMN2PKMGAA
SCHEMBL11737517 0.81 KMT2A (0.59) KMT2AMEN1SMN1; SMN2PKMGAA
SCHEMBL22221161 0.81 KMT2A (0.59) KMT2AMEN1SMN1; SMN2PKMGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100480248-C Malonamide derivatives as gamma-secretase inhibitors HOFFMANN LA ROCHE (CH) 2009-04-22 CN disclosed
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
CN-1745076-A Malonamide derivatives as gamma-secretase inhibitors HOFFMANN LA ROCHE (CH) 2006-03-08 CN 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 KMT2A 1285/4885MEN1 565/4885SMN1; SMN2 1340/4885

“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.